3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide

C13H19ClN2O — CID 81070620

IUPAC3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-2-10(8-15)7-13(17)16-9-11-5-3-4-6-12(11)14/h3-6,10H,2,7-9,15H2,1H3,(H,16,17)
InChIKeyKGKVFRGJPMUNKB-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.33
Rot. Bonds6

About 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide

3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide (PubChem CID 81070620) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
PubChem CID81070620
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-2-10(8-15)7-13(17)16-9-11-5-3-4-6-12(11)14/h3-6,10H,2,7-9,15H2,1H3,(H,16,17)
InChIKeyKGKVFRGJPMUNKB-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide 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

4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide
CID 114227270
3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide
CID 81075633
3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 81083953
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876
2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 66226083
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide
CID 81079151
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
CID 107470962
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide (CID 81070620) is 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide is CCC(CN)CC(=O)NCc1ccccc1Cl.
What is the InChIKey of 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide?
The InChIKey is KGKVFRGJPMUNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-10(8-15)7-13(17)16-9-11-5-3-4-6-12(11)14/h3-6,10H,2,7-9,15H2,1H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide?
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide has a molecular weight of 254.76 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide is sourced from PubChem (CID 81070620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).