[3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol

C16H24FNO — CID 79049855

IUPAC[3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
SMILESCCC1CCCC(CO)(Nc2cc(C)cc(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-3-13-5-4-6-16(10-13,11-19)18-15-8-12(2)7-14(17)9-15/h7-9,13,18-19H,3-6,10-11H2,1-2H3
InChIKeyXFBUDPGJOYXKGG-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.88
Rot. Bonds4

About [3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol

[3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol (PubChem CID 79049855) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is [3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
PubChem CID79049855
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name[3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
SMILESCCC1CCCC(CO)(Nc2cc(C)cc(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-3-13-5-4-6-16(10-13,11-19)18-15-8-12(2)7-14(17)9-15/h7-9,13,18-19H,3-6,10-11H2,1-2H3
InChIKeyXFBUDPGJOYXKGG-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol?
The IUPAC name of [3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol (CID 79049855) is [3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol.
What is the SMILES notation for [3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol?
The canonical SMILES for [3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol is CCC1CCCC(CO)(Nc2cc(C)cc(F)c2)C1.
What is the InChIKey of [3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol?
The InChIKey is XFBUDPGJOYXKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-13-5-4-6-16(10-13,11-19)18-15-8-12(2)7-14(17)9-15/h7-9,13,18-19H,3-6,10-11H2,1-2H3.
What are the key properties of [3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol?
[3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol has a molecular weight of 265.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol is sourced from PubChem (CID 79049855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).