4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one

C17H25NO — CID 117039757

IUPAC4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one
SMILESCCc1ccc(CCN(C)C2CCC(=O)CC2)cc1
InChIInChI=1S/C17H25NO/c1-3-14-4-6-15(7-5-14)12-13-18(2)16-8-10-17(19)11-9-16/h4-7,16H,3,8-13H2,1-2H3
InChIKeyCQMBGGLMZXAFGI-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.23
Rot. Bonds5

About 4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one

4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one (PubChem CID 117039757) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one
PubChem CID117039757
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one
SMILESCCc1ccc(CCN(C)C2CCC(=O)CC2)cc1
InChIInChI=1S/C17H25NO/c1-3-14-4-6-15(7-5-14)12-13-18(2)16-8-10-17(19)11-9-16/h4-7,16H,3,8-13H2,1-2H3
InChIKeyCQMBGGLMZXAFGI-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 115118500
4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one
CID 79119944
4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one
CID 103002707
4-[decyl(methyl)amino]cyclohexan-1-one
CID 79120098
4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one
CID 79120512
4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one
CID 106452882
4-[2-[cyclopentyl(methyl)amino]ethyl]aniline
CID 43267271
4-[but-3-ynyl(methyl)amino]cyclohexan-1-one
CID 79119767
4-[2-cyclobutylethyl(methyl)amino]cyclohexan-1-one
CID 117039789
2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118118
4-[(3,4-dimethylphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120330
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165413

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one?
The IUPAC name of 4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one (CID 117039757) is 4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one.
What is the SMILES notation for 4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one?
The canonical SMILES for 4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one is CCc1ccc(CCN(C)C2CCC(=O)CC2)cc1.
What is the InChIKey of 4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one?
The InChIKey is CQMBGGLMZXAFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-14-4-6-15(7-5-14)12-13-18(2)16-8-10-17(19)11-9-16/h4-7,16H,3,8-13H2,1-2H3.
What are the key properties of 4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one?
4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one is sourced from PubChem (CID 117039757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).