(2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one

C14H18ClNO — CID 176774253

IUPAC(2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one
SMILESCN[C@@]1(c2ccccc2Cl)CCCC(C)C1=O
InChIInChI=1S/C14H18ClNO/c1-10-6-5-9-14(16-2,13(10)17)11-7-3-4-8-12(11)15/h3-4,7-8,10,16H,5-6,9H2,1-2H3/t10?,14-/m1/s1
InChIKeyGDXHMRSBFPOZGR-LNUXAPHWSA-N
MW251.76 g/mol
LogP3.14
Rot. Bonds2

About (2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one

(2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one (PubChem CID 176774253) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one
PubChem CID176774253
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one
SMILESCN[C@@]1(c2ccccc2Cl)CCCC(C)C1=O
InChIInChI=1S/C14H18ClNO/c1-10-6-5-9-14(16-2,13(10)17)11-7-3-4-8-12(11)15/h3-4,7-8,10,16H,5-6,9H2,1-2H3/t10?,14-/m1/s1
InChIKeyGDXHMRSBFPOZGR-LNUXAPHWSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one
CID 145314644
CID 145384807
CID 145384807
(2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one
CID 140925792
cis-(2R,6R)-2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexan-1-one;cis-(2S,6S)-2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one
CID 157474660
[(1R,3S)-1-(2-chlorophenyl)-3-hydroxy-2-oxocyclohexyl]carbamic acid
CID 138596675
2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one
CID 175247770
tert-butyl N-[(3R)-1-(2-chlorophenyl)-3-hydroxy-2-oxocyclohexyl]carbamate
CID 146605293
2-(2-chlorophenyl)-3,3,4,4,5,5-hexadeuterio-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 169442736
2-(2-chlorophenyl)-2-(trideuteriomethylamino)cyclohexan-1-one;hydrochloride
CID 117065469
1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine
CID 89315326
(2S)-2-(2-chlorophenyl)-2-(methylamino)-6-(thiophen-2-ylmethylidene)cyclohexan-1-one
CID 7041018
tert-butyl N-[1-(2-chlorophenyl)-3-methoxy-2-oxocyclohexyl]carbamate
CID 166069954

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one?
The IUPAC name of (2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one (CID 176774253) is (2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one is CN[C@@]1(c2ccccc2Cl)CCCC(C)C1=O.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one?
The InChIKey is GDXHMRSBFPOZGR-LNUXAPHWSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10-6-5-9-14(16-2,13(10)17)11-7-3-4-8-12(11)15/h3-4,7-8,10,16H,5-6,9H2,1-2H3/t10?,14-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one?
(2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one has a molecular weight of 251.76 g/mol, XLogP of 3.14, 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)-6-methyl-2-(methylamino)cyclohexan-1-one is sourced from PubChem (CID 176774253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).