2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol

C17H27NO2 — CID 60760718

IUPAC2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCCC1CCC(NCC(O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H27NO2/c1-3-13-4-8-15(9-5-13)18-12-17(19)14-6-10-16(20-2)11-7-14/h6-7,10-11,13,15,17-19H,3-5,8-9,12H2,1-2H3
InChIKeyGQYJJIIRPHIHSS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.29
Rot. Bonds6

About 2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol

2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol (PubChem CID 60760718) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
PubChem CID60760718
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCCC1CCC(NCC(O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H27NO2/c1-3-13-4-8-15(9-5-13)18-12-17(19)14-6-10-16(20-2)11-7-14/h6-7,10-11,13,15,17-19H,3-5,8-9,12H2,1-2H3
InChIKeyGQYJJIIRPHIHSS-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)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-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64743967
1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol
CID 71941895
2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64742281
(4-ethylcyclohexyl)-(4-methoxyphenyl)methanol
CID 64749359
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 81422251
2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol
CID 13438548
1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
CID 62775298
2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol
CID 115019175
(3-ethylcyclopentyl)-(4-methoxyphenyl)methanol
CID 65409565

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol (CID 60760718) is 2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol is CCC1CCC(NCC(O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is GQYJJIIRPHIHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-13-4-8-15(9-5-13)18-12-17(19)14-6-10-16(20-2)11-7-14/h6-7,10-11,13,15,17-19H,3-5,8-9,12H2,1-2H3.
What are the key properties of 2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol has a molecular weight of 277.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 60760718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).