[1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol

C14H20FNO2 — CID 106874202

IUPAC[1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol
SMILESCOC1CCCC(CO)(Nc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO2/c1-18-13-3-2-8-14(9-13,10-17)16-12-6-4-11(15)5-7-12/h4-7,13,16-17H,2-3,8-10H2,1H3
InChIKeyNJNSJSHHPJIDLE-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.56
Rot. Bonds4

About [1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol

[1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol (PubChem CID 106874202) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol.

Molecular Properties

Compound Name[1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol
PubChem CID106874202
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol
SMILESCOC1CCCC(CO)(Nc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO2/c1-18-13-3-2-8-14(9-13,10-17)16-12-6-4-11(15)5-7-12/h4-7,13,16-17H,2-3,8-10H2,1H3
InChIKeyNJNSJSHHPJIDLE-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chloroanilino)-3-methoxycyclobutyl]methanol
CID 106824002
[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640901
[3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol
CID 64624867
[3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640904
1-(4-fluoroanilino)-3-methylcyclohexane-1-carboxylic acid
CID 60991952
[3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638624
[3-(4-fluoroanilino)thiolan-3-yl]methanol
CID 61047752
[3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
CID 79049855
1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide
CID 106822441
[1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol
CID 106824031
1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940
methyl 1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxylate
CID 106873006

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol?
The IUPAC name of [1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol (CID 106874202) is [1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol.
What is the SMILES notation for [1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol?
The canonical SMILES for [1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol is COC1CCCC(CO)(Nc2ccc(F)cc2)C1.
What is the InChIKey of [1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol?
The InChIKey is NJNSJSHHPJIDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-18-13-3-2-8-14(9-13,10-17)16-12-6-4-11(15)5-7-12/h4-7,13,16-17H,2-3,8-10H2,1H3.
What are the key properties of [1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol?
[1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol has a molecular weight of 253.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol is sourced from PubChem (CID 106874202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).