[1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol

C16H24FNO — CID 79050341

IUPAC[1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol
SMILESCc1cc(F)cc(NC2(CO)CCC(C)C(C)C2)c1
InChIInChI=1S/C16H24FNO/c1-11-6-14(17)8-15(7-11)18-16(10-19)5-4-12(2)13(3)9-16/h6-8,12-13,18-19H,4-5,9-10H2,1-3H3
InChIKeyOPVQYOMZKCJFHL-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.73
Rot. Bonds3

About [1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol

[1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol (PubChem CID 79050341) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is [1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol
PubChem CID79050341
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name[1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol
SMILESCc1cc(F)cc(NC2(CO)CCC(C)C(C)C2)c1
InChIInChI=1S/C16H24FNO/c1-11-6-14(17)8-15(7-11)18-16(10-19)5-4-12(2)13(3)9-16/h6-8,12-13,18-19H,4-5,9-10H2,1-3H3
InChIKeyOPVQYOMZKCJFHL-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol?
The IUPAC name of [1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol (CID 79050341) is [1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol.
What is the SMILES notation for [1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol?
The canonical SMILES for [1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol is Cc1cc(F)cc(NC2(CO)CCC(C)C(C)C2)c1.
What is the InChIKey of [1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol?
The InChIKey is OPVQYOMZKCJFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11-6-14(17)8-15(7-11)18-16(10-19)5-4-12(2)13(3)9-16/h6-8,12-13,18-19H,4-5,9-10H2,1-3H3.
What are the key properties of [1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol?
[1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol has a molecular weight of 265.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol is sourced from PubChem (CID 79050341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).