1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol

C17H27NO2 — CID 117444930

IUPAC1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(OC)c(C2CCC(C)CC2)c1
InChIInChI=1S/C17H27NO2/c1-12-4-6-13(7-5-12)15-10-14(16(19)11-18-2)8-9-17(15)20-3/h8-10,12-13,16,18-19H,4-7,11H2,1-3H3
InChIKeyFGNSTFVREGIRMR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.24
Rot. Bonds5

About 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol

1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol (PubChem CID 117444930) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol
PubChem CID117444930
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(OC)c(C2CCC(C)CC2)c1
InChIInChI=1S/C17H27NO2/c1-12-4-6-13(7-5-12)15-10-14(16(19)11-18-2)8-9-17(15)20-3/h8-10,12-13,16,18-19H,4-7,11H2,1-3H3
InChIKeyFGNSTFVREGIRMR-UHFFFAOYSA-N
XLogP3.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol
CID 117333852
N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine
CID 117377485
2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene
CID 151172035
1-(4-bromo-3-methoxyphenyl)-2-(methylamino)ethanol
CID 83734466
2-(methylamino)-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)ethanol
CID 83832989
1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117408759
1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol
CID 117450269
1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol
CID 117325570
(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749368
[1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine
CID 117436679
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate
CID 117477647

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol (CID 117444930) is 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol is CNCC(O)c1ccc(OC)c(C2CCC(C)CC2)c1.
What is the InChIKey of 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol?
The InChIKey is FGNSTFVREGIRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-4-6-13(7-5-12)15-10-14(16(19)11-18-2)8-9-17(15)20-3/h8-10,12-13,16,18-19H,4-7,11H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol?
1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol has a molecular weight of 277.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117444930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).