2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone

C16H23NO — CID 116578896

IUPAC2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CC2(N)CCCCC2)c(C)c1
InChIInChI=1S/C16H23NO/c1-12-6-7-14(13(2)10-12)15(18)11-16(17)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11,17H2,1-2H3
InChIKeyUHHOYSALOKKXPX-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.54
Rot. Bonds3

About 2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone

2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone (PubChem CID 116578896) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone
PubChem CID116578896
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CC2(N)CCCCC2)c(C)c1
InChIInChI=1S/C16H23NO/c1-12-6-7-14(13(2)10-12)15(18)11-16(17)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11,17H2,1-2H3
InChIKeyUHHOYSALOKKXPX-UHFFFAOYSA-N
XLogP3.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116591399
2-(1-aminocyclopentyl)-1-(2-methylphenyl)ethanone
CID 116578815
2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine
CID 118451758
2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103434857
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 107561340
4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid
CID 64676821
2-(1-aminocyclopentyl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 116578661
2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone
CID 116578986
2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 116578600
2-(1-aminocyclopentyl)-1-(4-ethylphenyl)ethanone
CID 116578853
1-(2,4-dimethylphenyl)butane-1,3-dione
CID 19917258

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone (CID 116578896) is 2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)CC2(N)CCCCC2)c(C)c1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is UHHOYSALOKKXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-6-7-14(13(2)10-12)15(18)11-16(17)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11,17H2,1-2H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone?
2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 116578896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).