N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide

C17H20N2O — CID 63753752

IUPACN-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccccc2CN)cc1
InChIInChI=1S/C17H20N2O/c1-13-6-8-14(9-7-13)10-11-17(20)19-16-5-3-2-4-15(16)12-18/h2-9H,10-12,18H2,1H3,(H,19,20)
InChIKeyOBHSYUDCFQDNCM-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.03
Rot. Bonds5

About N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide

N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide (PubChem CID 63753752) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide
PubChem CID63753752
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccccc2CN)cc1
InChIInChI=1S/C17H20N2O/c1-13-6-8-14(9-7-13)10-11-17(20)19-16-5-3-2-4-15(16)12-18/h2-9H,10-12,18H2,1H3,(H,19,20)
InChIKeyOBHSYUDCFQDNCM-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497838
N-(2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
CID 19220419
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-(4-methylphenyl)propanamide
CID 39185832
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-[2-(aminomethyl)phenyl]-2-(4-chlorophenyl)acetamide
CID 64894278
N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide
CID 59836533
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-(2-benzylphenyl)-2-(4-methylphenyl)acetamide
CID 9192456
N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
CID 143322146
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide (CID 63753752) is N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2ccccc2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide?
The InChIKey is OBHSYUDCFQDNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-6-8-14(9-7-13)10-11-17(20)19-16-5-3-2-4-15(16)12-18/h2-9H,10-12,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide?
N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide has a molecular weight of 268.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 63753752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).