(1S)-N-methyl-1-phenylpentan-1-amine

C12H19N — CID 86314170

IUPAC(1S)-N-methyl-1-phenylpentan-1-amine
SMILESCCCC[C@H](NC)c1ccccc1
InChIInChI=1S/C12H19N/c1-3-4-10-12(13-2)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3/t12-/m0/s1
InChIKeyPVOUZBXBJLSFDE-LBPRGKRZSA-N
MW177.29 g/mol
LogP3.14
Rot. Bonds5

About (1S)-N-methyl-1-phenylpentan-1-amine

(1S)-N-methyl-1-phenylpentan-1-amine (PubChem CID 86314170) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (1S)-N-methyl-1-phenylpentan-1-amine.

Molecular Properties

Compound Name(1S)-N-methyl-1-phenylpentan-1-amine
PubChem CID86314170
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(1S)-N-methyl-1-phenylpentan-1-amine
SMILESCCCC[C@H](NC)c1ccccc1
InChIInChI=1S/C12H19N/c1-3-4-10-12(13-2)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3/t12-/m0/s1
InChIKeyPVOUZBXBJLSFDE-LBPRGKRZSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-N-methyl-1-phenylpentan-1-amine 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-methyl-1-phenyl-4-propoxybutan-1-amine
CID 79570537
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
1-(4-iodophenyl)-N-methylpentan-1-amine
CID 115832799
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
N-pentan-3-yl-1-phenylpentan-1-amine
CID 43756569
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine
CID 10659103
N-methyl-5-methylidene-1-phenylheptan-1-amine
CID 66037848
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-phenylpentan-1-amine?
The IUPAC name of (1S)-N-methyl-1-phenylpentan-1-amine (CID 86314170) is (1S)-N-methyl-1-phenylpentan-1-amine.
What is the SMILES notation for (1S)-N-methyl-1-phenylpentan-1-amine?
The canonical SMILES for (1S)-N-methyl-1-phenylpentan-1-amine is CCCC[C@H](NC)c1ccccc1.
What is the InChIKey of (1S)-N-methyl-1-phenylpentan-1-amine?
The InChIKey is PVOUZBXBJLSFDE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N/c1-3-4-10-12(13-2)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N-methyl-1-phenylpentan-1-amine?
(1S)-N-methyl-1-phenylpentan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-phenylpentan-1-amine is sourced from PubChem (CID 86314170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).