2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one

C13H16ClNO — CID 3821

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IUPAC2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
SMILESCNC1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKeyYQEZLKZALYSWHR-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.90
Rot. Bonds2

About 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one

2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one (PubChem CID 3821) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
PubChem CID3821
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
SMILESCNC1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKeyYQEZLKZALYSWHR-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one?
The IUPAC name of 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one (CID 3821) is 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one?
The canonical SMILES for 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one is CNC1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one?
The InChIKey is YQEZLKZALYSWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one?
2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one has a molecular weight of 237.73 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one is sourced from PubChem (CID 3821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).