2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one

C15H20ClNO2 — CID 156846444

IUPAC2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one
SMILESCOC1CCCC(c2ccccc2Cl)(N(C)C)C1=O
InChIInChI=1S/C15H20ClNO2/c1-17(2)15(11-7-4-5-8-12(11)16)10-6-9-13(19-3)14(15)18/h4-5,7-8,13H,6,9-10H2,1-3H3
InChIKeyNKEPGNDRZIOWKL-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.86
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one

2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one (PubChem CID 156846444) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one
PubChem CID156846444
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one
SMILESCOC1CCCC(c2ccccc2Cl)(N(C)C)C1=O
InChIInChI=1S/C15H20ClNO2/c1-17(2)15(11-7-4-5-8-12(11)16)10-6-9-13(19-3)14(15)18/h4-5,7-8,13H,6,9-10H2,1-3H3
InChIKeyNKEPGNDRZIOWKL-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(2-chlorophenyl)-3-methoxy-2-oxocyclohexyl]carbamate
CID 166069954
2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one
CID 135034218
(2S)-2-[[(1R,3R)-1-(2-chlorophenyl)-3-hydroxy-2-oxocyclohexyl]-methylamino]-3-formyloxypropanoic acid
CID 153294635
(2S)-2-[[(1S,3R)-1-(2-chlorophenyl)-3-hydroxy-2-oxocyclohexyl]-methylamino]-3-formyloxypropanoic acid
CID 153294619
2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one
CID 145314644
methyl 3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]benzoate
CID 55761597
(2R)-2-(2-chlorophenyl)-6-methyl-2-(methylamino)cyclohexan-1-one
CID 176774253
propan-2-yl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
CID 170263505
(2S)-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylpyrrolidine-2-carboxamide
CID 139320616
trans-(2R,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexan-1-one;hydrochloride
CID 169441930
1-chloroethyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
CID 139320477
ethyl 2-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]acetate
CID 163956305

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one?
The IUPAC name of 2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one (CID 156846444) is 2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one?
The canonical SMILES for 2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one is COC1CCCC(c2ccccc2Cl)(N(C)C)C1=O.
What is the InChIKey of 2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one?
The InChIKey is NKEPGNDRZIOWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-17(2)15(11-7-4-5-8-12(11)16)10-6-9-13(19-3)14(15)18/h4-5,7-8,13H,6,9-10H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one?
2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one has a molecular weight of 281.78 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(dimethylamino)-6-methoxycyclohexan-1-one is sourced from PubChem (CID 156846444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).