3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide

C15H23ClN2O — CID 81075633

IUPAC3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide
SMILESCCC(CN)CC(=O)NC(C)Cc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-3-12(10-17)9-15(19)18-11(2)8-13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10,17H2,1-2H3,(H,18,19)
InChIKeyVHIVPFOPQNZZGX-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.76
Rot. Bonds7

About 3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide

3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide (PubChem CID 81075633) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide
PubChem CID81075633
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide
SMILESCCC(CN)CC(=O)NC(C)Cc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-3-12(10-17)9-15(19)18-11(2)8-13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10,17H2,1-2H3,(H,18,19)
InChIKeyVHIVPFOPQNZZGX-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]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

3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
CID 81070620
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 81489482
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
CID 110833172
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
CID 61156026
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
CID 42961637
1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide
CID 115447507
ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate
CID 110675422
3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
CID 43240713
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide (CID 81075633) is 3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide is CCC(CN)CC(=O)NC(C)Cc1ccccc1Cl.
What is the InChIKey of 3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide?
The InChIKey is VHIVPFOPQNZZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-12(10-17)9-15(19)18-11(2)8-13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10,17H2,1-2H3,(H,18,19).
What are the key properties of 3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide?
3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide has a molecular weight of 282.81 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide is sourced from PubChem (CID 81075633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).