2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride

C12H15Cl2NO — CID 25195026

IUPAC2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride
SMILESCl.NC1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C12H14ClNO.ClH/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15;/h1-2,5-6H,3-4,7-8,14H2;1H
InChIKeyCLPOJGPBUGCUKT-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.06
Rot. Bonds1

About 2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride

2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride (PubChem CID 25195026) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride
PubChem CID25195026
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride
SMILESCl.NC1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C12H14ClNO.ClH/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15;/h1-2,5-6H,3-4,7-8,14H2;1H
InChIKeyCLPOJGPBUGCUKT-UHFFFAOYSA-N
XLogP3.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine
CID 158231024
(2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one
CID 156538428
2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one
CID 166124265
bis((2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one);(2S)-5-oxopyrrolidine-2-carboxylate;(2S)-5-oxopyrrolidine-2-carboxylic acid
CID 157236414
(2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one
CID 76967267
trans-(2R,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexan-1-one;hydrochloride
CID 169441930
2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one
CID 166124236
2-amino-2-(2-chloro-3,4,5,6-tetradeuteriophenyl)cyclohexan-1-one
CID 71751218
(3S)-3-amino-3-(2-chlorophenyl)oxan-2-one
CID 146840720
2-(2-chlorophenyl)-2-(trideuteriomethylamino)cyclohexan-1-one;hydrochloride
CID 117065469
2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one
CID 145314644
2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one
CID 135034218

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride?
The IUPAC name of 2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride (CID 25195026) is 2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride?
The canonical SMILES for 2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride is Cl.NC1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of 2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride?
The InChIKey is CLPOJGPBUGCUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO.ClH/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15;/h1-2,5-6H,3-4,7-8,14H2;1H.
What are the key properties of 2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride?
2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride has a molecular weight of 260.16 g/mol, XLogP of 3.06, 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)cyclohexan-1-one;hydrochloride is sourced from PubChem (CID 25195026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).