(2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one

C13H16ClNO — CID 140925792

IUPAC(2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one
SMILES[2H]C1([2H])CCC[C@@](NC)(c2ccccc2Cl)C1=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/i8D2
InChIKeyYQEZLKZALYSWHR-AXIWEOSCSA-N
MW239.74 g/mol
LogP2.90
Rot. Bonds2

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

(2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one (PubChem CID 140925792) has the molecular formula C13H16ClNO and a molecular weight of 239.74 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one
PubChem CID140925792
Molecular FormulaC13H16ClNO
Molecular Weight239.74 g/mol
Exact Mass239.10
IUPAC Name(2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one
SMILES[2H]C1([2H])CCC[C@@](NC)(c2ccccc2Cl)C1=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/i8D2
InChIKeyYQEZLKZALYSWHR-AXIWEOSCSA-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 ≤ 500239.74
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-chlorophenyl)-2-(cyclopropylmethylamino)-6,6-dideuteriocyclohexan-1-one
CID 175247775
2-(2-chlorophenyl)-2-(trideuteriomethylamino)cyclohexan-1-one;hydrochloride
CID 117065469
2-(2-chlorophenyl)-3,3,4,4,5,5-hexadeuterio-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 169442736
CID 145384807
CID 145384807
(2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one
CID 176774253
1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine
CID 89315326
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide
CID 91753398
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide
CID 126521615
(2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride
CID 155970795
2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one
CID 175247770
methyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate
CID 153325940
(2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 171381722

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one?
The IUPAC name of (2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one (CID 140925792) is (2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one is [2H]C1([2H])CCC[C@@](NC)(c2ccccc2Cl)C1=O.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one?
The InChIKey is YQEZLKZALYSWHR-AXIWEOSCSA-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/i8D2.
What are the key properties of (2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one?
(2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one has a molecular weight of 239.74 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)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one is sourced from PubChem (CID 140925792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).