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Phenylmethylamines

Organic compounds that contain a phenyl ring with a methyl group bonded to an amino functional group.
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1

Benzyl(ethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide 98.0+%, TCI America™

CAS: 1186103-43-4 Molecular Formula: C13H18F6N2O4S2 Molecular Weight (g/mol): 444.407 InChI Key: IGABCHQKFATAOI-UHFFFAOYSA-N PubChem CID: 87176851 IUPAC Name: benzyl-ethyl-dimethylazanium;bis(trifluoromethylsulfonyl)azanide SMILES: CC[N+](C)(C)CC1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

PubChem CID 87176851
CAS 1186103-43-4
Molecular Weight (g/mol) 444.407
SMILES CC[N+](C)(C)CC1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
IUPAC Name benzyl-ethyl-dimethylazanium;bis(trifluoromethylsulfonyl)azanide
InChI Key IGABCHQKFATAOI-UHFFFAOYSA-N
Molecular Formula C13H18F6N2O4S2
2

3-Iodobenzylamine Hydrochloride 98.0+%, TCI America™

CAS: 3718-88-5 Molecular Formula: C7H9ClIN Molecular Weight (g/mol): 269.51 MDL Number: MFCD00012857 InChI Key: PYFDZOCGFHIRST-UHFFFAOYSA-N Synonym: 3-iodobenzylamine hydrochloride,3-iodophenyl methanamine hydrochloride,3-iodobenzylamine hcl,3-iodobenzylaminehydrochloride,benzenemethanamine, 3-iodo-, hydrochloride,1-3-iodophenyl methanamine hydrochloride,pubchem3302,acmc-1cmc7,3-iodobenzylamine hcl salt,ksc491e3h PubChem CID: 2723861 IUPAC Name: (3-iodophenyl)methanamine;hydrochloride SMILES: C1=CC(=CC(=C1)I)CN.Cl

PubChem CID 2723861
CAS 3718-88-5
Molecular Weight (g/mol) 269.51
MDL Number MFCD00012857
SMILES C1=CC(=CC(=C1)I)CN.Cl
Synonym 3-iodobenzylamine hydrochloride,3-iodophenyl methanamine hydrochloride,3-iodobenzylamine hcl,3-iodobenzylaminehydrochloride,benzenemethanamine, 3-iodo-, hydrochloride,1-3-iodophenyl methanamine hydrochloride,pubchem3302,acmc-1cmc7,3-iodobenzylamine hcl salt,ksc491e3h
IUPAC Name (3-iodophenyl)methanamine;hydrochloride
InChI Key PYFDZOCGFHIRST-UHFFFAOYSA-N
Molecular Formula C7H9ClIN
3

4-[(4-Methyl-1-piperazinyl)methyl]benzoic Acid Dihydrochloride 98.0+%, TCI America™

CAS: 106261-49-8 Molecular Formula: C13H20Cl2N2O2 Molecular Weight (g/mol): 307.215 MDL Number: MFCD07772867 InChI Key: ISHROKOWRJDOSN-UHFFFAOYSA-N Synonym: 4-4-methylpiperazin-1-yl methyl benzoic acid dihydrochloride,4-4-methyl-1-piperazinyl methyl benzoic acid dihydrochloride,4-4-methylpiperazin-1-yl methyl,4-4-methylpiperazinomethyl benzoic acid dihydrochloride,benzoic acid, 4-4-methyl-1-piperazinyl methyl-, dihydrochloride,zlchem 396,ksc909c2h,4-4-methyl piperazino methyl benzoic acid 2hcl,4-4-methylpiperazin-1-yl methyl benzoic acid dih PubChem CID: 10335346 IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;dihydrochloride SMILES: CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.Cl.Cl

PubChem CID 10335346
CAS 106261-49-8
Molecular Weight (g/mol) 307.215
MDL Number MFCD07772867
SMILES CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.Cl.Cl
Synonym 4-4-methylpiperazin-1-yl methyl benzoic acid dihydrochloride,4-4-methyl-1-piperazinyl methyl benzoic acid dihydrochloride,4-4-methylpiperazin-1-yl methyl,4-4-methylpiperazinomethyl benzoic acid dihydrochloride,benzoic acid, 4-4-methyl-1-piperazinyl methyl-, dihydrochloride,zlchem 396,ksc909c2h,4-4-methyl piperazino methyl benzoic acid 2hcl,4-4-methylpiperazin-1-yl methyl benzoic acid dih
IUPAC Name 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;dihydrochloride
InChI Key ISHROKOWRJDOSN-UHFFFAOYSA-N
Molecular Formula C13H20Cl2N2O2
4

4-(Aminomethyl)benzonitrile Hydrochloride 98.0+%, TCI America™

CAS: 15996-76-6 Molecular Formula: C8H9ClN2 Molecular Weight (g/mol): 168.624 MDL Number: MFCD01861472 InChI Key: QREZLLYPLRPULF-UHFFFAOYSA-N Synonym: 4-aminomethyl benzonitrile hydrochloride,4-cyanobenzylamine hcl,4-cyanobenzylamine hydrochloride,4-aminomethyl benzonitrile hcl,4-aminomethyl-benzonitrile hydrochloride,benzonitrile, 4-aminomethyl-, monohydrochloride,p-aminomethyl benzonitrile hydrochloride,pubchem2057,acmc-209dkg,4-aminomethylbenzonitrile hcl PubChem CID: 9942250 IUPAC Name: 4-(aminomethyl)benzonitrile;hydrochloride SMILES: C1=CC(=CC=C1CN)C#N.Cl

PubChem CID 9942250
CAS 15996-76-6
Molecular Weight (g/mol) 168.624
MDL Number MFCD01861472
SMILES C1=CC(=CC=C1CN)C#N.Cl
Synonym 4-aminomethyl benzonitrile hydrochloride,4-cyanobenzylamine hcl,4-cyanobenzylamine hydrochloride,4-aminomethyl benzonitrile hcl,4-aminomethyl-benzonitrile hydrochloride,benzonitrile, 4-aminomethyl-, monohydrochloride,p-aminomethyl benzonitrile hydrochloride,pubchem2057,acmc-209dkg,4-aminomethylbenzonitrile hcl
IUPAC Name 4-(aminomethyl)benzonitrile;hydrochloride
InChI Key QREZLLYPLRPULF-UHFFFAOYSA-N
Molecular Formula C8H9ClN2
5

4-(Aminomethyl)-2-methoxyphenol Hydrochloride 98.0+%, TCI America™

CAS: 10-2-7149 Molecular Formula: C8H11ClNO2 Molecular Weight (g/mol): 188.63 MDL Number: MFCD00012864 InChI Key: LOYPVODLNGWOLM-UHFFFAOYSA-N Synonym: 4-hydroxy-3-methoxybenzylamine hydrochloride,4-aminomethyl-2-methoxyphenol hydrochloride,vanillylamine hydrochloride,n-vanillylamine hydrochloride,2-vanillylamine hydrochloride,4-hydroxy-3-methoxybenzylamine hcl,phenol, 4-aminomethyl-2-methoxy-, hydrochloride,4-aminomethyl-2-methoxyphenol, chloride,vanillylamine hcl PubChem CID: 165576 IUPAC Name: 4-(aminomethyl)-2-methoxyphenol;hydrochloride SMILES: COC1=C(C=CC(=C1)CN)O.Cl

PubChem CID 165576
CAS 10-2-7149
Molecular Weight (g/mol) 188.63
MDL Number MFCD00012864
SMILES COC1=C(C=CC(=C1)CN)O.Cl
Synonym 4-hydroxy-3-methoxybenzylamine hydrochloride,4-aminomethyl-2-methoxyphenol hydrochloride,vanillylamine hydrochloride,n-vanillylamine hydrochloride,2-vanillylamine hydrochloride,4-hydroxy-3-methoxybenzylamine hcl,phenol, 4-aminomethyl-2-methoxy-, hydrochloride,4-aminomethyl-2-methoxyphenol, chloride,vanillylamine hcl
IUPAC Name 4-(aminomethyl)-2-methoxyphenol;hydrochloride
InChI Key LOYPVODLNGWOLM-UHFFFAOYSA-N
Molecular Formula C8H11ClNO2
6

1-(2,3,4-Trimethoxybenzyl)piperazine Dihydrochloride 98.0+%, TCI America™

CAS: 13171-25-0 Molecular Formula: C14H24Cl2N2O3 Molecular Weight (g/mol): 339.257 MDL Number: MFCD00243086 InChI Key: VYFLPFGUVGMBEP-UHFFFAOYSA-N Synonym: trimetazidine dihydrochloride,1-2,3,4-trimethoxybenzyl piperazine dihydrochloride,kyurinett,trimetazidine hydrochloride,trimetajust,lubomail,vastarel,yosimilon,1-2,3,4-trimethoxyphenyl methyl piperazine dihydrochloride,trimetazidine 2hcl PubChem CID: 83201 IUPAC Name: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride SMILES: COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl

PubChem CID 83201
CAS 13171-25-0
Molecular Weight (g/mol) 339.257
MDL Number MFCD00243086
SMILES COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl
Synonym trimetazidine dihydrochloride,1-2,3,4-trimethoxybenzyl piperazine dihydrochloride,kyurinett,trimetazidine hydrochloride,trimetajust,lubomail,vastarel,yosimilon,1-2,3,4-trimethoxyphenyl methyl piperazine dihydrochloride,trimetazidine 2hcl
IUPAC Name 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride
InChI Key VYFLPFGUVGMBEP-UHFFFAOYSA-N
Molecular Formula C14H24Cl2N2O3
7

Ambroxol Hydrochloride 98.0+%, TCI America™

CAS: 23828-92-4 Molecular Formula: C13H19Br2ClN2O Molecular Weight (g/mol): 414.57 MDL Number: MFCD00078932 InChI Key: QNVKOSLOVOTXKF-UHFFFAOYSA-N Synonym: ambroxol hydrochloride,ambroxol hcl,mucoangin,mucosolvan,ambroxolhydrochloride,unii-cc995zmv90,cis-4-2-amino-3,5-dibromobenzyl amino cyclohexanol hydrochloride,trans-4-2-amino-3,5-dibromobenzyl amino cyclohexanol hydrochloride,ambroxol hydrochloride jan,lasolvan PubChem CID: 108013 IUPAC Name: hydrogen 4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol chloride SMILES: [H+].[Cl-].NC1=C(Br)C=C(Br)C=C1CNC1CCC(O)CC1

PubChem CID 108013
CAS 23828-92-4
Molecular Weight (g/mol) 414.57
MDL Number MFCD00078932
SMILES [H+].[Cl-].NC1=C(Br)C=C(Br)C=C1CNC1CCC(O)CC1
Synonym ambroxol hydrochloride,ambroxol hcl,mucoangin,mucosolvan,ambroxolhydrochloride,unii-cc995zmv90,cis-4-2-amino-3,5-dibromobenzyl amino cyclohexanol hydrochloride,trans-4-2-amino-3,5-dibromobenzyl amino cyclohexanol hydrochloride,ambroxol hydrochloride jan,lasolvan
IUPAC Name hydrogen 4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol chloride
InChI Key QNVKOSLOVOTXKF-UHFFFAOYSA-N
Molecular Formula C13H19Br2ClN2O
8

Bromhexine Hydrochloride 98.0+%, TCI America™

CAS: 611-75-6 Molecular Formula: C14H21Br2ClN2 Molecular Weight (g/mol): 412.59 MDL Number: MFCD00056626 InChI Key: SXIVGYTWSVJOLM-UHFFFAOYNA-N Synonym: bromhexine hydrochloride,bromhexine hcl,auxit,bisolvon,broncokin,viscolyt,bromohexine hydrochloride,bromhexine chloride,quentan,unii-yc2zom3z8v PubChem CID: 5702220 ChEBI: CHEBI:31303 IUPAC Name: hydrogen 2-(1-amino-1-cyclohexylethyl)-4,6-dibromoaniline chloride SMILES: [H+].[Cl-].CC(N)(C1CCCCC1)C1=CC(Br)=CC(Br)=C1N

PubChem CID 5702220
CAS 611-75-6
Molecular Weight (g/mol) 412.59
ChEBI CHEBI:31303
MDL Number MFCD00056626
SMILES [H+].[Cl-].CC(N)(C1CCCCC1)C1=CC(Br)=CC(Br)=C1N
Synonym bromhexine hydrochloride,bromhexine hcl,auxit,bisolvon,broncokin,viscolyt,bromohexine hydrochloride,bromhexine chloride,quentan,unii-yc2zom3z8v
IUPAC Name hydrogen 2-(1-amino-1-cyclohexylethyl)-4,6-dibromoaniline chloride
InChI Key SXIVGYTWSVJOLM-UHFFFAOYNA-N
Molecular Formula C14H21Br2ClN2
9

Benzylamine Hydrobromide 98.0+%, TCI America™

CAS: 37488-40-7 Molecular Formula: C7H10BrN Molecular Weight (g/mol): 188.068 MDL Number: MFCD00035434 InChI Key: QJFMCHRSDOLMHA-UHFFFAOYSA-N Synonym: Benzylammonium Bromide PubChem CID: 12998568 IUPAC Name: phenylmethanamine;hydrobromide SMILES: C1=CC=C(C=C1)CN.Br

PubChem CID 12998568
CAS 37488-40-7
Molecular Weight (g/mol) 188.068
MDL Number MFCD00035434
SMILES C1=CC=C(C=C1)CN.Br
Synonym Benzylammonium Bromide
IUPAC Name phenylmethanamine;hydrobromide
InChI Key QJFMCHRSDOLMHA-UHFFFAOYSA-N
Molecular Formula C7H10BrN
10

Butenafine Hydrochloride 98.0+%, TCI America™

CAS: 101827-46-7 Molecular Formula: C23H28ClN Molecular Weight (g/mol): 353.934 MDL Number: MFCD00917064 InChI Key: LJBSAUIFGPSHCN-UHFFFAOYSA-N PubChem CID: 443867 ChEBI: CHEBI:31325 IUPAC Name: 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride SMILES: CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32.Cl

PubChem CID 443867
CAS 101827-46-7
Molecular Weight (g/mol) 353.934
ChEBI CHEBI:31325
MDL Number MFCD00917064
SMILES CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32.Cl
IUPAC Name 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
InChI Key LJBSAUIFGPSHCN-UHFFFAOYSA-N
Molecular Formula C23H28ClN
11

[2-(Aminomethyl)phenyl]acetic Acid 97.0+%, TCI America™

CAS: 40851-65-8 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD04038440 InChI Key: VLOIVYPDUSVCLZ-UHFFFAOYSA-N PubChem CID: 1514158 IUPAC Name: 2-[2-(aminomethyl)phenyl]acetic acid SMILES: NCC1=CC=CC=C1CC(O)=O

PubChem CID 1514158
CAS 40851-65-8
Molecular Weight (g/mol) 165.19
MDL Number MFCD04038440
SMILES NCC1=CC=CC=C1CC(O)=O
IUPAC Name 2-[2-(aminomethyl)phenyl]acetic acid
InChI Key VLOIVYPDUSVCLZ-UHFFFAOYSA-N
Molecular Formula C9H11NO2
12

Benzylamine Hydrochloride 98.0+%, TCI America™

CAS: 3287-99-8 Molecular Formula: C7H10ClN Molecular Weight (g/mol): 143.614 MDL Number: MFCD00012852 InChI Key: XKXHCNPAFAXVRZ-UHFFFAOYSA-N Synonym: benzylamine hydrochloride,phenylmethanamine hydrochloride,benzenemethanamine, hydrochloride,benzylammonium chloride,benzylamine, hydrochloride,usaf el-82,benzenemethanamine, hydrochloride 1:1,benzylamine hcl,benzylaminehydrochloride,benzyl amine hcl salt PubChem CID: 2724127 IUPAC Name: phenylmethanamine;hydrochloride SMILES: C1=CC=C(C=C1)CN.Cl

PubChem CID 2724127
CAS 3287-99-8
Molecular Weight (g/mol) 143.614
MDL Number MFCD00012852
SMILES C1=CC=C(C=C1)CN.Cl
Synonym benzylamine hydrochloride,phenylmethanamine hydrochloride,benzenemethanamine, hydrochloride,benzylammonium chloride,benzylamine, hydrochloride,usaf el-82,benzenemethanamine, hydrochloride 1:1,benzylamine hcl,benzylaminehydrochloride,benzyl amine hcl salt
IUPAC Name phenylmethanamine;hydrochloride
InChI Key XKXHCNPAFAXVRZ-UHFFFAOYSA-N
Molecular Formula C7H10ClN
13

Benzylamine Hydroiodide (Low water content) 98.0+%, TCI America™

CAS: 45579-91-7 Molecular Formula: C7H10IN Molecular Weight (g/mol): 235.068 InChI Key: PPCHYMCMRUGLHR-UHFFFAOYSA-N Synonym: Benzylammonium Iodide PubChem CID: 67825834 IUPAC Name: phenylmethanamine;hydroiodide SMILES: C1=CC=C(C=C1)CN.I

PubChem CID 67825834
CAS 45579-91-7
Molecular Weight (g/mol) 235.068
SMILES C1=CC=C(C=C1)CN.I
Synonym Benzylammonium Iodide
IUPAC Name phenylmethanamine;hydroiodide
InChI Key PPCHYMCMRUGLHR-UHFFFAOYSA-N
Molecular Formula C7H10IN
14

(3S,4S)-(+)-1-Benzyl-3,4-pyrrolidindiol, 97%, Thermo Scientific Chemicals

CAS: 90365-74-5 MDL Number: MFCD01073893 InChI Key: QJRIUWQPJVPYSO-QWRGUYRKSA-N Synonym: 3s,4s-1-benzylpyrrolidine-3,4-diol,3s,4s-+-1-benzyl-3,4-pyrrolidindiol,3s,4s-+-1-benzyl-3,4-pyrrolidinediol,3s,4s-1-benzyl-3,4-pyrrolidinediol,3s,4s---1-benzyl-3,4-pyrrolidindiol,3,4-pyrrolidinediol, 1-phenylmethyl-, 3s,4s,pubchem18732,3s,4s-1-benzyl-3,4-dihydroxypyrrolidine,3s,4s-1-phenylmethyl-3,4-pyrrolidinediol,3s,4s-+-1-benzyl-3,4-pyrrolidinediol sum of enantiomers, hplc PubChem CID: 2734057 IUPAC Name: (3S,4S)-1-benzylpyrrolidine-3,4-diol SMILES: C1C(C(CN1CC2=CC=CC=C2)O)O

PubChem CID 2734057
CAS 90365-74-5
MDL Number MFCD01073893
SMILES C1C(C(CN1CC2=CC=CC=C2)O)O
Synonym 3s,4s-1-benzylpyrrolidine-3,4-diol,3s,4s-+-1-benzyl-3,4-pyrrolidindiol,3s,4s-+-1-benzyl-3,4-pyrrolidinediol,3s,4s-1-benzyl-3,4-pyrrolidinediol,3s,4s---1-benzyl-3,4-pyrrolidindiol,3,4-pyrrolidinediol, 1-phenylmethyl-, 3s,4s,pubchem18732,3s,4s-1-benzyl-3,4-dihydroxypyrrolidine,3s,4s-1-phenylmethyl-3,4-pyrrolidinediol,3s,4s-+-1-benzyl-3,4-pyrrolidinediol sum of enantiomers, hplc
IUPAC Name (3S,4S)-1-benzylpyrrolidine-3,4-diol
InChI Key QJRIUWQPJVPYSO-QWRGUYRKSA-N
15

4-(Aminomethyl)benzoic Acid 97.0+%, TCI America™

CAS: 56-91-7 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00010203 InChI Key: QCTBMLYLENLHLA-UHFFFAOYSA-N Synonym: 4-aminomethyl benzoic acid,4-carboxybenzylamine,pamba,styptopur,gumbix,p-aminomethylbenzoic acid,aminomethylbenzoic acid,benzoic acid, 4-aminomethyl,benzylamine-4-carboxylic acid,alpha-amino-p-toluic acid PubChem CID: 65526 IUPAC Name: 4-(aminomethyl)benzoic acid SMILES: C1=CC(=CC=C1CN)C(=O)O

PubChem CID 65526
CAS 56-91-7
Molecular Weight (g/mol) 151.165
MDL Number MFCD00010203
SMILES C1=CC(=CC=C1CN)C(=O)O
Synonym 4-aminomethyl benzoic acid,4-carboxybenzylamine,pamba,styptopur,gumbix,p-aminomethylbenzoic acid,aminomethylbenzoic acid,benzoic acid, 4-aminomethyl,benzylamine-4-carboxylic acid,alpha-amino-p-toluic acid
IUPAC Name 4-(aminomethyl)benzoic acid
InChI Key QCTBMLYLENLHLA-UHFFFAOYSA-N
Molecular Formula C8H9NO2