1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol

C14H20FNO2 — CID 103396883

IUPAC1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol
SMILESCNC1CCC(O)(c2ccc(OC)cc2F)CC1
InChIInChI=1S/C14H20FNO2/c1-16-10-5-7-14(17,8-6-10)12-4-3-11(18-2)9-13(12)15/h3-4,9-10,16-17H,5-8H2,1-2H3
InChIKeyLGYZKHBUGIWACT-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.18
Rot. Bonds3

About 1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol

1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol (PubChem CID 103396883) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol
PubChem CID103396883
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol
SMILESCNC1CCC(O)(c2ccc(OC)cc2F)CC1
InChIInChI=1S/C14H20FNO2/c1-16-10-5-7-14(17,8-6-10)12-4-3-11(18-2)9-13(12)15/h3-4,9-10,16-17H,5-8H2,1-2H3
InChIKeyLGYZKHBUGIWACT-UHFFFAOYSA-N
XLogP2.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol
CID 103395024
1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
CID 171366570
1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429701
3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 103395075
1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol
CID 113414556
1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol
CID 171367787
2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 22615139
1-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 141281979
4-(2-fluoro-5-methoxyphenyl)oxan-4-ol
CID 171367710
2-(4-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510926
4-ethyl-1-(4-methoxy-2-methylphenyl)cyclohexan-1-ol
CID 65313174
4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine
CID 103395169

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol (CID 103396883) is 1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol is CNC1CCC(O)(c2ccc(OC)cc2F)CC1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol?
The InChIKey is LGYZKHBUGIWACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16-10-5-7-14(17,8-6-10)12-4-3-11(18-2)9-13(12)15/h3-4,9-10,16-17H,5-8H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol?
1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol has a molecular weight of 253.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol is sourced from PubChem (CID 103396883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).