(1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine

C16H25N — CID 156552487

IUPAC(1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine
SMILESCCN[C@@]1(c2ccccc2C)CCCCC1C
InChIInChI=1S/C16H25N/c1-4-17-16(12-8-7-10-14(16)3)15-11-6-5-9-13(15)2/h5-6,9,11,14,17H,4,7-8,10,12H2,1-3H3/t14?,16-/m0/s1
InChIKeyCAFBVGIAUDKDDA-WMCAAGNKSA-N
MW231.38 g/mol
LogP4.01
Rot. Bonds3

About (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine

(1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine (PubChem CID 156552487) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine
PubChem CID156552487
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine
SMILESCCN[C@@]1(c2ccccc2C)CCCCC1C
InChIInChI=1S/C16H25N/c1-4-17-16(12-8-7-10-14(16)3)15-11-6-5-9-13(15)2/h5-6,9,11,14,17H,4,7-8,10,12H2,1-3H3/t14?,16-/m0/s1
InChIKeyCAFBVGIAUDKDDA-WMCAAGNKSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-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

Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine?
The IUPAC name of (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine (CID 156552487) is (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine is CCN[C@@]1(c2ccccc2C)CCCCC1C.
What is the InChIKey of (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine?
The InChIKey is CAFBVGIAUDKDDA-WMCAAGNKSA-N. The full InChI is InChI=1S/C16H25N/c1-4-17-16(12-8-7-10-14(16)3)15-11-6-5-9-13(15)2/h5-6,9,11,14,17H,4,7-8,10,12H2,1-3H3/t14?,16-/m0/s1.
What are the key properties of (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine?
(1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 156552487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).