(2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one

C15H21NO — CID 166169525

IUPAC(2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one
SMILESCCN(C)[C@]1(c2ccccc2)CCCCC1=O
InChIInChI=1S/C15H21NO/c1-3-16(2)15(12-8-7-11-14(15)17)13-9-5-4-6-10-13/h4-6,9-10H,3,7-8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyHCVISHNNMAVORX-HNNXBMFYSA-N
MW231.34 g/mol
LogP2.98
Rot. Bonds3

About (2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one

(2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one (PubChem CID 166169525) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one
PubChem CID166169525
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one
SMILESCCN(C)[C@]1(c2ccccc2)CCCCC1=O
InChIInChI=1S/C15H21NO/c1-3-16(2)15(12-8-7-11-14(15)17)13-9-5-4-6-10-13/h4-6,9-10H,3,7-8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyHCVISHNNMAVORX-HNNXBMFYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]-2-phenylcyclohexan-1-one
CID 136541464
2-(bromomethyl)-2-phenylcyclotridecan-1-one
CID 132609011
(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
CID 94478337
2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one
CID 135034218
2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
CID 18705340
(2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one
CID 156538709
ethyl 2-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]acetate
CID 163956305
2-(1-bromoethenyl)-2-phenylcyclohexan-1-one
CID 102390499
[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] propanoate
CID 55443861
dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
CID 166087043
[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]oxymethyl (2S)-3-methyl-2-(2-oxopropyl)pentanoate
CID 161142693
2-[[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 78821414

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one?
The IUPAC name of (2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one (CID 166169525) is (2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one.
What is the SMILES notation for (2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one?
The canonical SMILES for (2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one is CCN(C)[C@]1(c2ccccc2)CCCCC1=O.
What is the InChIKey of (2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one?
The InChIKey is HCVISHNNMAVORX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-16(2)15(12-8-7-11-14(15)17)13-9-5-4-6-10-13/h4-6,9-10H,3,7-8,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one?
(2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one is sourced from PubChem (CID 166169525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).