[3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol

C14H20FNO2 — CID 79640904

IUPAC[3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(Oc2ccccc2F)C1
InChIInChI=1S/C14H20FNO2/c1-16-14(10-17)8-4-5-11(9-14)18-13-7-3-2-6-12(13)15/h2-3,6-7,11,16-17H,4-5,8-10H2,1H3
InChIKeyOQCGRTAFIHGFPQ-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.10
Rot. Bonds4

About [3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol

[3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol (PubChem CID 79640904) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol
PubChem CID79640904
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(Oc2ccccc2F)C1
InChIInChI=1S/C14H20FNO2/c1-16-14(10-17)8-4-5-11(9-14)18-13-7-3-2-6-12(13)15/h2-3,6-7,11,16-17H,4-5,8-10H2,1H3
InChIKeyOQCGRTAFIHGFPQ-UHFFFAOYSA-N
XLogP2.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638624
[3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol
CID 79638646
[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol
CID 79638491
[1-(methylamino)-3-naphthalen-2-yloxycyclopentyl]methanol
CID 79646293
methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79648683
[1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol
CID 79645266
[3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol
CID 79647984
1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid
CID 79649075
[1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol
CID 106874202
3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637427
[3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640574
3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile
CID 107713933

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol?
The IUPAC name of [3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol (CID 79640904) is [3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol is CNC1(CO)CCCC(Oc2ccccc2F)C1.
What is the InChIKey of [3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol?
The InChIKey is OQCGRTAFIHGFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16-14(10-17)8-4-5-11(9-14)18-13-7-3-2-6-12(13)15/h2-3,6-7,11,16-17H,4-5,8-10H2,1H3.
What are the key properties of [3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol?
[3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol has a molecular weight of 253.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).