1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol

C17H27NO2 — CID 82217099

IUPAC1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCN(CCO)CC(O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-18(11-12-19)13-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-10,14,17,19-20H,2-6,11-13H2,1H3
InChIKeySWAGGFZPKPMJKD-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.69
Rot. Bonds6

About 1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol

1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol (PubChem CID 82217099) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
PubChem CID82217099
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCN(CCO)CC(O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-18(11-12-19)13-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-10,14,17,19-20H,2-6,11-13H2,1H3
InChIKeySWAGGFZPKPMJKD-UHFFFAOYSA-N
XLogP2.69
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]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-bromo-1-(4-cyclohexylphenyl)ethanol
CID 116863188
2-amino-1-(4-cyclohexylphenyl)ethanol
CID 82114264
4-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]benzonitrile
CID 60961038
2-[2-hydroxyethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217026
1-(4-cyclohexylphenyl)octan-1-ol
CID 63426970
1-(4-cyclopentylphenyl)hexan-1-ol
CID 91233072
2-aminooxy-1-(4-cyclohexylphenyl)ethanol
CID 82116649
(4-cyclohexylphenyl)-(dimethylamino)methanethiol
CID 116909382
2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine
CID 116907408
1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
CID 82216731
2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63471920
2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid
CID 82090569

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The IUPAC name of 1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol (CID 82217099) is 1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol is CN(CCO)CC(O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The InChIKey is SWAGGFZPKPMJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-18(11-12-19)13-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-10,14,17,19-20H,2-6,11-13H2,1H3.
What are the key properties of 1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol is sourced from PubChem (CID 82217099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).