2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol

C16H24FNO — CID 79047274

IUPAC2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol
SMILESCc1cc(F)cc(NC(CO)C2CCC(C)CC2)c1
InChIInChI=1S/C16H24FNO/c1-11-3-5-13(6-4-11)16(10-19)18-15-8-12(2)7-14(17)9-15/h7-9,11,13,16,18-19H,3-6,10H2,1-2H3
InChIKeyCFDDEAKABMOXGL-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.73
Rot. Bonds4

About 2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol

2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol (PubChem CID 79047274) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol
PubChem CID79047274
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol
SMILESCc1cc(F)cc(NC(CO)C2CCC(C)CC2)c1
InChIInChI=1S/C16H24FNO/c1-11-3-5-13(6-4-11)16(10-19)18-15-8-12(2)7-14(17)9-15/h7-9,11,13,16,18-19H,3-6,10H2,1-2H3
InChIKeyCFDDEAKABMOXGL-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline
CID 79054393
2-cyclopropyl-2-(4-fluoroanilino)ethanol
CID 61310926
N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline
CID 115928729
[1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol
CID 103564816
3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline
CID 107364173
3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol
CID 79048010
2-(3-fluoro-5-methylanilino)-2-(oxan-4-yl)acetic acid
CID 79049887
N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 107582921
3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 79054955
1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115442356
2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050260
N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline
CID 79055355

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol?
The IUPAC name of 2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol (CID 79047274) is 2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol is Cc1cc(F)cc(NC(CO)C2CCC(C)CC2)c1.
What is the InChIKey of 2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol?
The InChIKey is CFDDEAKABMOXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11-3-5-13(6-4-11)16(10-19)18-15-8-12(2)7-14(17)9-15/h7-9,11,13,16,18-19H,3-6,10H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol?
2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol has a molecular weight of 265.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol is sourced from PubChem (CID 79047274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).