(3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone

C16H21Cl2NO — CID 79066310

IUPAC(3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone
SMILESCC1CCC(C(=O)c2ccc(Cl)c(Cl)c2)(N(C)C)CC1
InChIInChI=1S/C16H21Cl2NO/c1-11-6-8-16(9-7-11,19(2)3)15(20)12-4-5-13(17)14(18)10-12/h4-5,10-11H,6-9H2,1-3H3
InChIKeyNOXIMMQQOPPOMA-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.69
Rot. Bonds3

About (3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone

(3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone (PubChem CID 79066310) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone
PubChem CID79066310
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name(3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone
SMILESCC1CCC(C(=O)c2ccc(Cl)c(Cl)c2)(N(C)C)CC1
InChIInChI=1S/C16H21Cl2NO/c1-11-6-8-16(9-7-11,19(2)3)15(20)12-4-5-13(17)14(18)10-12/h4-5,10-11H,6-9H2,1-3H3
InChIKeyNOXIMMQQOPPOMA-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone (CID 79066310) is (3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone is CC1CCC(C(=O)c2ccc(Cl)c(Cl)c2)(N(C)C)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone?
The InChIKey is NOXIMMQQOPPOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-11-6-8-16(9-7-11,19(2)3)15(20)12-4-5-13(17)14(18)10-12/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of (3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone?
(3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone has a molecular weight of 314.26 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone is sourced from PubChem (CID 79066310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).