2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol

C17H27NO2 — CID 64743967

IUPAC2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCCC1CCCC(NCC(O)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H27NO2/c1-3-13-5-4-6-15(11-13)18-12-17(19)14-7-9-16(20-2)10-8-14/h7-10,13,15,17-19H,3-6,11-12H2,1-2H3
InChIKeyXBUPCLFQNSYIFF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.29
Rot. Bonds6

About 2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol

2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol (PubChem CID 64743967) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
PubChem CID64743967
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCCC1CCCC(NCC(O)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H27NO2/c1-3-13-5-4-6-15(11-13)18-12-17(19)14-7-9-16(20-2)10-8-14/h7-10,13,15,17-19H,3-6,11-12H2,1-2H3
InChIKeyXBUPCLFQNSYIFF-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

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Related Compounds

2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60760718
4-[2-[(3-ethylcyclohexyl)amino]-1-hydroxyethyl]benzonitrile
CID 64741066
3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81371165
2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64742281
2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 81422251
1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol
CID 71941895
2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411
2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol
CID 13438548
(3-ethylcyclopentyl)-(4-methoxyphenyl)methanol
CID 65409565
3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876207
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 79871773

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol (CID 64743967) is 2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol is CCC1CCCC(NCC(O)c2ccc(OC)cc2)C1.
What is the InChIKey of 2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is XBUPCLFQNSYIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-13-5-4-6-15(11-13)18-12-17(19)14-7-9-16(20-2)10-8-14/h7-10,13,15,17-19H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
2-[(3-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-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 64743967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).