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

C13H16ClNO — CID 644025

IUPAC(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
SMILESCN[C@@]1(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/t13-/m1/s1
InChIKeyYQEZLKZALYSWHR-CYBMUJFWSA-N
MW237.73 g/mol
LogP2.90
Rot. Bonds2

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

(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one (PubChem CID 644025) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
PubChem CID644025
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
SMILESCN[C@@]1(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/t13-/m1/s1
InChIKeyYQEZLKZALYSWHR-CYBMUJFWSA-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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Related Compounds

Ketamine
CID 3821
Esketamine
CID 182137
Ketamine Hydrochloride
CID 15851
Esketamine Hydrochloride
CID 44632368
(+-)-Norketamine
CID 123767
Deschloroketamine
CID 437168
2-Amino-2-(2-chlorophenyl)cyclohexan-1-one hydrochloride
CID 25195026
Dehydronorketamine
CID 162835
2-Fluorodeschloroketamine
CID 13771618
2'-Oxo-pce
CID 132989542
Ketamine hydrochloride, (R)-
CID 9838417
4-(4-Chlorophenyl)-4-(dimethylamino)cyclohexan-1-one
CID 12595650

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one (CID 644025) is (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one is CN[C@@]1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one?
The InChIKey is YQEZLKZALYSWHR-CYBMUJFWSA-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/t13-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one?
(2R)-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 (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one is sourced from PubChem (CID 644025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).