2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol

C14H19Cl2NO — CID 113261572

IUPAC2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCCC1O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO/c1-9(10-5-4-6-11(15)14(10)16)17-12-7-2-3-8-13(12)18/h4-6,9,12-13,17-18H,2-3,7-8H2,1H3
InChIKeyDYVRCBXLOSCYCW-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.95
Rot. Bonds3

About 2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol

2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol (PubChem CID 113261572) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol
PubChem CID113261572
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCCC1O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO/c1-9(10-5-4-6-11(15)14(10)16)17-12-7-2-3-8-13(12)18/h4-6,9,12-13,17-18H,2-3,7-8H2,1H3
InChIKeyDYVRCBXLOSCYCW-UHFFFAOYSA-N
XLogP3.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol 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-(Benzylamino)-1-(3,4-dichlorophenyl)ethan-1-ol
CID 70463218
1-Propanol, 2-(3,4-dichlorobenzylamino)-2-methyl-
CID 99360
2-[(2-Chlorobenzyl)amino]-1-phenyl-1-propanol hydrochloride
CID 2975216
2-[(2,3-Dichlorobenzyl)amino]-1-phenyl-1-propanol hydrochloride
CID 2984215
2-[(3,4-Dichlorobenzyl)amino]-1-phenyl-1-propanol
CID 11948814
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinolin-3-yl)-methanol
CID 14027811
2-(Cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol
CID 44522001
2-[(3,4-Dichlorobenzyl)amino]-1-phenylethanol hydrochloride
CID 2978837
2-[[1-(3,4-Dichlorophenyl)cyclohexyl]methylamino]cyclohexan-1-ol
CID 68674151
1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (R)-
CID 60563
1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (S)-
CID 60565
1-Propanol, 2-((p-chlorobenzyl)amino)-3-phenyl-
CID 205354

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol (CID 113261572) is 2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol is CC(NC1CCCCC1O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol?
The InChIKey is DYVRCBXLOSCYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-9(10-5-4-6-11(15)14(10)16)17-12-7-2-3-8-13(12)18/h4-6,9,12-13,17-18H,2-3,7-8H2,1H3.
What are the key properties of 2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol?
2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol has a molecular weight of 288.22 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dichlorophenyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 113261572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).