2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone

C16H23NO — CID 61446014

IUPAC2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone
SMILESCC1CCCC(N(C)CC(=O)c2ccccc2)C1
InChIInChI=1S/C16H23NO/c1-13-7-6-10-15(11-13)17(2)12-16(18)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3
InChIKeyADSSXRFYJZMDEH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.38
Rot. Bonds4

About 2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone

2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone (PubChem CID 61446014) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone.

Molecular Properties

Compound Name2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone
PubChem CID61446014
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone
SMILESCC1CCCC(N(C)CC(=O)c2ccccc2)C1
InChIInChI=1S/C16H23NO/c1-13-7-6-10-15(11-13)17(2)12-16(18)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3
InChIKeyADSSXRFYJZMDEH-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone 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

1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
CID 61445964
1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
CID 63567177
1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one
CID 62618349
2-[methyl(thiolan-3-yl)amino]-1-phenylethanone
CID 62050593
2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795211
2-[[(1R,3S)-3-methylcyclohexyl]amino]-1-phenylethanone
CID 122534357
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
3-[methyl-(3-methylcyclohexyl)carbamoyl]benzoic acid
CID 61447304
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
benzoic acid;methylcyclopentane
CID 68907828
4-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 61446292
2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid
CID 61446146

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone?
The IUPAC name of 2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone (CID 61446014) is 2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone.
What is the SMILES notation for 2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone?
The canonical SMILES for 2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone is CC1CCCC(N(C)CC(=O)c2ccccc2)C1.
What is the InChIKey of 2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone?
The InChIKey is ADSSXRFYJZMDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-7-6-10-15(11-13)17(2)12-16(18)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3.
What are the key properties of 2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone?
2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone has a molecular weight of 245.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone is sourced from PubChem (CID 61446014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).