2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol

C16H23Cl2NO — CID 79066196

IUPAC2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
SMILESCN(C)C1(C(O)Cc2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C16H23Cl2NO/c1-19(2)16(8-4-3-5-9-16)15(20)11-12-6-7-13(17)14(18)10-12/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3
InChIKeyCOPDHNACXZVCPQ-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.16
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol

2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol (PubChem CID 79066196) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
PubChem CID79066196
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
SMILESCN(C)C1(C(O)Cc2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C16H23Cl2NO/c1-19(2)16(8-4-3-5-9-16)15(20)11-12-6-7-13(17)14(18)10-12/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3
InChIKeyCOPDHNACXZVCPQ-UHFFFAOYSA-N
XLogP4.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 82920040
1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol
CID 79066048
2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066042
1-[1-(dimethylamino)cyclopentyl]-2-phenylethanol
CID 79067226
2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827645
1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol
CID 79074275
[1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane
CID 63531103
2-(1-aminocyclopentyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 64685068
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 107884906
1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 107895172
2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 106827647

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol (CID 79066196) is 2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol is CN(C)C1(C(O)Cc2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The InChIKey is COPDHNACXZVCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-19(2)16(8-4-3-5-9-16)15(20)11-12-6-7-13(17)14(18)10-12/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol has a molecular weight of 316.27 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol is sourced from PubChem (CID 79066196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).