1-(4-cyclohexylphenyl)-2-(methylamino)ethanone

C15H21NO — CID 82082215

IUPAC1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H21NO/c1-16-11-15(17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12,16H,2-6,11H2,1H3
InChIKeyZKAHHYMJIRKOFT-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.14
Rot. Bonds4

About 1-(4-cyclohexylphenyl)-2-(methylamino)ethanone

1-(4-cyclohexylphenyl)-2-(methylamino)ethanone (PubChem CID 82082215) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
PubChem CID82082215
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H21NO/c1-16-11-15(17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12,16H,2-6,11H2,1H3
InChIKeyZKAHHYMJIRKOFT-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-cyclohexylphenyl)-2-(methylamino)ethanone (CID 82082215) is 1-(4-cyclohexylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2-(methylamino)ethanone?
The InChIKey is ZKAHHYMJIRKOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-16-11-15(17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12,16H,2-6,11H2,1H3.
What are the key properties of 1-(4-cyclohexylphenyl)-2-(methylamino)ethanone?
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 82082215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).