2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone

C17H23Cl2NO — CID 79062570

IUPAC2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
SMILESCC1CCCC(C(=O)Cc2c(Cl)cccc2Cl)(N(C)C)C1
InChIInChI=1S/C17H23Cl2NO/c1-12-6-5-9-17(11-12,20(2)3)16(21)10-13-14(18)7-4-8-15(13)19/h4,7-8,12H,5-6,9-11H2,1-3H3
InChIKeyZOMYAOXTDBCSKP-UHFFFAOYSA-N
MW328.28 g/mol
LogP4.62
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone

2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone (PubChem CID 79062570) has the molecular formula C17H23Cl2NO and a molecular weight of 328.28 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
PubChem CID79062570
Molecular FormulaC17H23Cl2NO
Molecular Weight328.28 g/mol
Exact Mass327.12
IUPAC Name2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
SMILESCC1CCCC(C(=O)Cc2c(Cl)cccc2Cl)(N(C)C)C1
InChIInChI=1S/C17H23Cl2NO/c1-12-6-5-9-17(11-12,20(2)3)16(21)10-13-14(18)7-4-8-15(13)19/h4,7-8,12H,5-6,9-11H2,1-3H3
InChIKeyZOMYAOXTDBCSKP-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79063235
2-(2,6-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749946
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone
CID 79074375
2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062448
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one
CID 79074378
1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone
CID 116607168
2-(2-chloro-6-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749639
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79074745
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062584
1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one
CID 79074670
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79074674
(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone
CID 79700332

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone (CID 79062570) is 2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone is CC1CCCC(C(=O)Cc2c(Cl)cccc2Cl)(N(C)C)C1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone?
The InChIKey is ZOMYAOXTDBCSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO/c1-12-6-5-9-17(11-12,20(2)3)16(21)10-13-14(18)7-4-8-15(13)19/h4,7-8,12H,5-6,9-11H2,1-3H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone?
2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone has a molecular weight of 328.28 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone is sourced from PubChem (CID 79062570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).