(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride

C13H17Cl2NO — CID 44632368

IUPAC(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
SMILESCN[C@]1(c2ccccc2Cl)CCCCC1=O.Cl
InChIInChI=1S/C13H16ClNO.ClH/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;1H/t13-;/m0./s1
InChIKeyVCMGMSHEPQENPE-ZOWNYOTGSA-N
MW274.19 g/mol
LogP3.32
Rot. Bonds2

About (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride

(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride (PubChem CID 44632368) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
PubChem CID44632368
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
SMILESCN[C@]1(c2ccccc2Cl)CCCCC1=O.Cl
InChIInChI=1S/C13H16ClNO.ClH/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;1H/t13-;/m0./s1
InChIKeyVCMGMSHEPQENPE-ZOWNYOTGSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride?
The IUPAC name of (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride (CID 44632368) is (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride is CN[C@]1(c2ccccc2Cl)CCCCC1=O.Cl.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride?
The InChIKey is VCMGMSHEPQENPE-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H16ClNO.ClH/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;1H/t13-;/m0./s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride?
(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride has a molecular weight of 274.19 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride is sourced from PubChem (CID 44632368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).