trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol

C16H24ClNO — CID 70378333

IUPACtrans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
SMILESCN(C)CC(c1ccccc1Cl)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H24ClNO/c1-18(2)11-14(12-7-3-5-9-15(12)17)13-8-4-6-10-16(13)19/h3,5,7,9,13-14,16,19H,4,6,8,10-11H2,1-2H3/t13-,14?,16+/m1/s1
InChIKeyFAXMHMSNADWFDX-XIFZVWCKSA-N
MW281.83 g/mol
LogP3.54
Rot. Bonds4

About trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol

trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol (PubChem CID 70378333) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
PubChem CID70378333
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Nametrans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
SMILESCN(C)CC(c1ccccc1Cl)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H24ClNO/c1-18(2)11-14(12-7-3-5-9-15(12)17)13-8-4-6-10-16(13)19/h3,5,7,9,13-14,16,19H,4,6,8,10-11H2,1-2H3/t13-,14?,16+/m1/s1
InChIKeyFAXMHMSNADWFDX-XIFZVWCKSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]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-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine
CID 56690078
trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine
CID 11737219
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81379546
2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858860
3-(2-chlorophenyl)-3-cyclohexylpropanoic acid
CID 82092094
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
CID 43180386
2-(2-chlorophenyl)-2-cyclobutylethanamine
CID 83688611
1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
CID 55022362
1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 111118134
1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 111565238
(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane
CID 142544047

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol (CID 70378333) is trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol is CN(C)CC(c1ccccc1Cl)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
The InChIKey is FAXMHMSNADWFDX-XIFZVWCKSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-18(2)11-14(12-7-3-5-9-15(12)17)13-8-4-6-10-16(13)19/h3,5,7,9,13-14,16,19H,4,6,8,10-11H2,1-2H3/t13-,14?,16+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol has a molecular weight of 281.83 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 70378333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).