(2R)-2-(methylamino)-2-phenylcyclohexan-1-one

C13H17NO — CID 94478337

IUPAC(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
SMILESCN[C@@]1(c2ccccc2)CCCCC1=O
InChIInChI=1S/C13H17NO/c1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11/h2-4,7-8,14H,5-6,9-10H2,1H3/t13-/m1/s1
InChIKeyZAGBSZSITDFFAF-CYBMUJFWSA-N
MW203.29 g/mol
LogP2.24
Rot. Bonds2

About (2R)-2-(methylamino)-2-phenylcyclohexan-1-one

(2R)-2-(methylamino)-2-phenylcyclohexan-1-one (PubChem CID 94478337) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (2R)-2-(methylamino)-2-phenylcyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
PubChem CID94478337
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
SMILESCN[C@@]1(c2ccccc2)CCCCC1=O
InChIInChI=1S/C13H17NO/c1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11/h2-4,7-8,14H,5-6,9-10H2,1H3/t13-/m1/s1
InChIKeyZAGBSZSITDFFAF-CYBMUJFWSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
CID 18705340
(2R)-2-(4-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 172627580
(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 156803398
(2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride
CID 155970795
(2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 171381722
(2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one
CID 156538709
(NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine
CID 138976612
(2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one
CID 166169525
2-(bromomethyl)-2-phenylcyclotridecan-1-one
CID 132609011
2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one
CID 67474909
2-(2-chlorophenyl)-2-(trideuteriomethylamino)cyclohexan-1-one;hydrochloride
CID 117065469
2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one
CID 137332183

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-2-phenylcyclohexan-1-one?
The IUPAC name of (2R)-2-(methylamino)-2-phenylcyclohexan-1-one (CID 94478337) is (2R)-2-(methylamino)-2-phenylcyclohexan-1-one.
What is the SMILES notation for (2R)-2-(methylamino)-2-phenylcyclohexan-1-one?
The canonical SMILES for (2R)-2-(methylamino)-2-phenylcyclohexan-1-one is CN[C@@]1(c2ccccc2)CCCCC1=O.
What is the InChIKey of (2R)-2-(methylamino)-2-phenylcyclohexan-1-one?
The InChIKey is ZAGBSZSITDFFAF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11/h2-4,7-8,14H,5-6,9-10H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-(methylamino)-2-phenylcyclohexan-1-one?
(2R)-2-(methylamino)-2-phenylcyclohexan-1-one has a molecular weight of 203.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-2-phenylcyclohexan-1-one is sourced from PubChem (CID 94478337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).