2-benzyl-3-(4-methylphenyl)propan-1-amine

C17H21N — CID 62504695

IUPAC2-benzyl-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CC(CN)Cc2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-14-7-9-16(10-8-14)12-17(13-18)11-15-5-3-2-4-6-15/h2-10,17H,11-13,18H2,1H3
InChIKeyBQZHXDSVNSFXLH-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.36
Rot. Bonds5

About 2-benzyl-3-(4-methylphenyl)propan-1-amine

2-benzyl-3-(4-methylphenyl)propan-1-amine (PubChem CID 62504695) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-benzyl-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(4-methylphenyl)propan-1-amine
PubChem CID62504695
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-benzyl-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CC(CN)Cc2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-14-7-9-16(10-8-14)12-17(13-18)11-15-5-3-2-4-6-15/h2-10,17H,11-13,18H2,1H3
InChIKeyBQZHXDSVNSFXLH-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
(2R)-2-benzylbutan-1-amine
CID 42325983
2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 62503999
4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62505527
2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496149
2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 82930150
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
(2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine
CID 124706723
2-benzyl-N',N'-dimethylpropane-1,3-diamine
CID 23008665
2-[(4-methylphenyl)methyl]heptan-1-amine
CID 62503996

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-benzyl-3-(4-methylphenyl)propan-1-amine (CID 62504695) is 2-benzyl-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-benzyl-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-benzyl-3-(4-methylphenyl)propan-1-amine is Cc1ccc(CC(CN)Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-3-(4-methylphenyl)propan-1-amine?
The InChIKey is BQZHXDSVNSFXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-14-7-9-16(10-8-14)12-17(13-18)11-15-5-3-2-4-6-15/h2-10,17H,11-13,18H2,1H3.
What are the key properties of 2-benzyl-3-(4-methylphenyl)propan-1-amine?
2-benzyl-3-(4-methylphenyl)propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 62504695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).