(2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one

C15H21NO2 — CID 156538709

IUPAC(2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one
SMILESCOCCN[C@]1(c2ccccc2)CCCCC1=O
InChIInChI=1S/C15H21NO2/c1-18-12-11-16-15(10-6-5-9-14(15)17)13-7-3-2-4-8-13/h2-4,7-8,16H,5-6,9-12H2,1H3/t15-/m0/s1
InChIKeyZEOAYPARWZZNLE-HNNXBMFYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds5

About (2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one

(2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one (PubChem CID 156538709) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one
PubChem CID156538709
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one
SMILESCOCCN[C@]1(c2ccccc2)CCCCC1=O
InChIInChI=1S/C15H21NO2/c1-18-12-11-16-15(10-6-5-9-14(15)17)13-7-3-2-4-8-13/h2-4,7-8,16H,5-6,9-12H2,1H3/t15-/m0/s1
InChIKeyZEOAYPARWZZNLE-HNNXBMFYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
CID 94478337
2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
CID 18705340
2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one
CID 137332183
(2S)-2-amino-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-amino-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-amino-2-phenylcyclohexan-1-one;(2S)-2-(3-fluorophenyl)-2-(methylamino)cyclohexan-1-one;(2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one;(2S)-2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2R)-2-phenyl-2-pyrrolidin-1-ylcyclohexan-1-one;(2S)-2-phenyl-2-pyrrolidin-1-ylcyclohexan-1-one;(2R)-2-phenyl-2-(trideuteriomethylamino)cyclohexan-1-one
CID 167541871
(2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one
CID 166169525
(2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one
CID 101020127
1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea
CID 110676480
methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride
CID 71769911
2-(bromomethyl)-2-phenylcyclotridecan-1-one
CID 132609011
2-benzyl-2-methoxycyclohexan-1-one
CID 11806160
2-(2-methoxyethylamino)-N-[(1-phenylcyclopentyl)methyl]acetamide;hydrochloride
CID 119698187
2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine
CID 62718320

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one?
The IUPAC name of (2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one (CID 156538709) is (2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one.
What is the SMILES notation for (2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one?
The canonical SMILES for (2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one is COCCN[C@]1(c2ccccc2)CCCCC1=O.
What is the InChIKey of (2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one?
The InChIKey is ZEOAYPARWZZNLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-12-11-16-15(10-6-5-9-14(15)17)13-7-3-2-4-8-13/h2-4,7-8,16H,5-6,9-12H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one?
(2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one is sourced from PubChem (CID 156538709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).