(3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide

C16H25ClN2O — CID 81378546

IUPAC(3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide
SMILESCC(C)C[C@H](CN)CC(=O)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2O/c1-11(2)8-13(10-18)9-16(20)19-12(3)14-6-4-5-7-15(14)17/h4-7,11-13H,8-10,18H2,1-3H3,(H,19,20)/t12-,13-/m0/s1
InChIKeyPSQRAXKTOWSZAK-STQMWFEESA-N
MW296.84 g/mol
LogP3.53
Rot. Bonds7

About (3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide

(3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide (PubChem CID 81378546) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide
PubChem CID81378546
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide
SMILESCC(C)C[C@H](CN)CC(=O)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2O/c1-11(2)8-13(10-18)9-16(20)19-12(3)14-6-4-5-7-15(14)17/h4-7,11-13H,8-10,18H2,1-3H3,(H,19,20)/t12-,13-/m0/s1
InChIKeyPSQRAXKTOWSZAK-STQMWFEESA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide 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

N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide
CID 81378675
3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81375536
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
(3S)-3-(aminomethyl)-5-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]hexanamide
CID 81355844
6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
CID 51041452
3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide
CID 81087802
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000
(3S)-3-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-methylhexanamide
CID 81368816
2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772390

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide (CID 81378546) is (3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide is CC(C)C[C@H](CN)CC(=O)N[C@@H](C)c1ccccc1Cl.
What is the InChIKey of (3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide?
The InChIKey is PSQRAXKTOWSZAK-STQMWFEESA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-11(2)8-13(10-18)9-16(20)19-12(3)14-6-4-5-7-15(14)17/h4-7,11-13H,8-10,18H2,1-3H3,(H,19,20)/t12-,13-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide?
(3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide has a molecular weight of 296.84 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide is sourced from PubChem (CID 81378546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).