[1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol

C17H27NO3 — CID 62519917

IUPAC[1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol
SMILESCCOc1cc(CNC2(CO)CCCCC2)ccc1OC
InChIInChI=1S/C17H27NO3/c1-3-21-16-11-14(7-8-15(16)20-2)12-18-17(13-19)9-5-4-6-10-17/h7-8,11,18-19H,3-6,9-10,12-13H2,1-2H3
InChIKeyFGVGYORXMAFYJB-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.88
Rot. Bonds7

About [1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol

[1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol (PubChem CID 62519917) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol
PubChem CID62519917
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol
SMILESCCOc1cc(CNC2(CO)CCCCC2)ccc1OC
InChIInChI=1S/C17H27NO3/c1-3-21-16-11-14(7-8-15(16)20-2)12-18-17(13-19)9-5-4-6-10-17/h7-8,11,18-19H,3-6,9-10,12-13H2,1-2H3
InChIKeyFGVGYORXMAFYJB-UHFFFAOYSA-N
XLogP2.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733291
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine
CID 61365376
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
[1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol
CID 115733413
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 100600748
[1-[(4-ethylphenyl)methylamino]cyclopentyl]methanol
CID 62524121
[1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol
CID 115762979
[1-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexyl]methanol
CID 115909570
1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 115673846
1-(3-ethoxy-4-methoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107267051
[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol
CID 62521694
N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 115673745

Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol (CID 62519917) is [1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol is CCOc1cc(CNC2(CO)CCCCC2)ccc1OC.
What is the InChIKey of [1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol?
The InChIKey is FGVGYORXMAFYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-21-16-11-14(7-8-15(16)20-2)12-18-17(13-19)9-5-4-6-10-17/h7-8,11,18-19H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of [1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol?
[1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol has a molecular weight of 293.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62519917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).