1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol

C16H25NO2 — CID 81133448

IUPAC1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol
SMILESCOc1cccc(C(O)CNC2(C)CCCCC2)c1
InChIInChI=1S/C16H25NO2/c1-16(9-4-3-5-10-16)17-12-15(18)13-7-6-8-14(11-13)19-2/h6-8,11,15,17-18H,3-5,9-10,12H2,1-2H3
InChIKeyHJHPOENAJCAWDG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.04
Rot. Bonds5

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

1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol (PubChem CID 81133448) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol
PubChem CID81133448
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol
SMILESCOc1cccc(C(O)CNC2(C)CCCCC2)c1
InChIInChI=1S/C16H25NO2/c1-16(9-4-3-5-10-16)17-12-15(18)13-7-6-8-14(11-13)19-2/h6-8,11,15,17-18H,3-5,9-10,12H2,1-2H3
InChIKeyHJHPOENAJCAWDG-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol
CID 138473214
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol
CID 81134310
1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 119765478
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol
CID 111380854
1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 111434813
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol
CID 113475226
2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134599
1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol
CID 81133622
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol (CID 81133448) is 1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol is COc1cccc(C(O)CNC2(C)CCCCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol?
The InChIKey is HJHPOENAJCAWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(9-4-3-5-10-16)17-12-15(18)13-7-6-8-14(11-13)19-2/h6-8,11,15,17-18H,3-5,9-10,12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol?
1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol has a molecular weight of 263.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol is sourced from PubChem (CID 81133448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).