N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide

C18H23N3O — CID 18070950

IUPACN-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1CN)N(C)Cc1ccccc1
InChIInChI=1S/C18H23N3O/c1-14(21(2)13-15-8-4-3-5-9-15)18(22)20-17-11-7-6-10-16(17)12-19/h3-11,14H,12-13,19H2,1-2H3,(H,20,22)
InChIKeyNNFIBQJQCGQXNU-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.60
Rot. Bonds6

About N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide

N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide (PubChem CID 18070950) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
PubChem CID18070950
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1CN)N(C)Cc1ccccc1
InChIInChI=1S/C18H23N3O/c1-14(21(2)13-15-8-4-3-5-9-15)18(22)20-17-11-7-6-10-16(17)12-19/h3-11,14H,12-13,19H2,1-2H3,(H,20,22)
InChIKeyNNFIBQJQCGQXNU-UHFFFAOYSA-N
XLogP2.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]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

2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817
N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884442
N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198478
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]propanamide
CID 43570705
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide
CID 43571770
(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide
CID 32727431
(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide
CID 9274676
(2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 8009004
(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid
CID 119369701
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
N-(2-fluorophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 46801756

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide (CID 18070950) is N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide is CC(C(=O)Nc1ccccc1CN)N(C)Cc1ccccc1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide?
The InChIKey is NNFIBQJQCGQXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(21(2)13-15-8-4-3-5-9-15)18(22)20-17-11-7-6-10-16(17)12-19/h3-11,14H,12-13,19H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide?
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide has a molecular weight of 297.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide is sourced from PubChem (CID 18070950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).