(2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one

C19H21NO — CID 948246

IUPAC(2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one
SMILESO=C1CCCC[C@H]1[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO/c21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h1-6,9-12,17,19-20H,7-8,13-14H2/t17-,19+/m1/s1
InChIKeyITYLIHBJQIGSFJ-MJGOQNOKSA-N
MW279.38 g/mol
LogP4.60
Rot. Bonds4

About (2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one

(2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one (PubChem CID 948246) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one
PubChem CID948246
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one
SMILESO=C1CCCC[C@H]1[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO/c21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h1-6,9-12,17,19-20H,7-8,13-14H2/t17-,19+/m1/s1
InChIKeyITYLIHBJQIGSFJ-MJGOQNOKSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one 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-[(S)-anilino(phenyl)methyl]cycloheptan-1-one
CID 101375640
(2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one
CID 851711
(2R)-2-[(S)-anilino-[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-one
CID 102075036
2-[(4-methoxyanilino)-phenylmethyl]cycloheptan-1-one
CID 101057458
(2R)-2-[(S)-(4-iodoanilino)-phenylmethyl]cyclopentan-1-one
CID 7034207
2-[phenyl-[4-(trifluoromethoxy)anilino]methyl]cyclohexan-1-one
CID 102346346
2-[anilino-(2-chlorophenyl)methyl]cyclohexan-1-one
CID 74412349
2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one
CID 141404305
(2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one
CID 102187567
(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
(2S)-2-[(R)-(4-chlorophenyl)-(4-methylanilino)methyl]cyclohexan-1-one
CID 139241341
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one?
The IUPAC name of (2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one (CID 948246) is (2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for (2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one?
The canonical SMILES for (2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one is O=C1CCCC[C@H]1[C@@H](Nc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one?
The InChIKey is ITYLIHBJQIGSFJ-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H21NO/c21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h1-6,9-12,17,19-20H,7-8,13-14H2/t17-,19+/m1/s1.
What are the key properties of (2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one?
(2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one has a molecular weight of 279.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 948246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).