2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one

C13H16ClNO — CID 145314644

IUPAC2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one
SMILESCC1CCCC(N)(c2ccccc2Cl)C1=O
InChIInChI=1S/C13H16ClNO/c1-9-5-4-8-13(15,12(9)16)10-6-2-3-7-11(10)14/h2-3,6-7,9H,4-5,8,15H2,1H3
InChIKeyGBGYSOJXSGATBD-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.88
Rot. Bonds1

About 2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one

2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one (PubChem CID 145314644) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one
PubChem CID145314644
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one
SMILESCC1CCCC(N)(c2ccccc2Cl)C1=O
InChIInChI=1S/C13H16ClNO/c1-9-5-4-8-13(15,12(9)16)10-6-2-3-7-11(10)14/h2-3,6-7,9H,4-5,8,15H2,1H3
InChIKeyGBGYSOJXSGATBD-UHFFFAOYSA-N
XLogP2.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one?
The IUPAC name of 2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one (CID 145314644) is 2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one.
What is the SMILES notation for 2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one?
The canonical SMILES for 2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one is CC1CCCC(N)(c2ccccc2Cl)C1=O.
What is the InChIKey of 2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one?
The InChIKey is GBGYSOJXSGATBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9-5-4-8-13(15,12(9)16)10-6-2-3-7-11(10)14/h2-3,6-7,9H,4-5,8,15H2,1H3.
What are the key properties of 2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one?
2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one has a molecular weight of 237.73 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one is sourced from PubChem (CID 145314644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).