3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol

C17H24F3NO — CID 67364648

IUPAC3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2cccc(C(F)(F)F)c2)CC1(C)C
InChIInChI=1S/C17H24F3NO/c1-12-7-8-16(22,10-15(12,2)3)11-21-14-6-4-5-13(9-14)17(18,19)20/h4-6,9,12,21-22H,7-8,10-11H2,1-3H3
InChIKeyIGFWYKYTDSZQMT-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.69
Rot. Bonds3

About 3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol

3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol (PubChem CID 67364648) has the molecular formula C17H24F3NO and a molecular weight of 315.38 g/mol. Its IUPAC name is 3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
PubChem CID67364648
Molecular FormulaC17H24F3NO
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2cccc(C(F)(F)F)c2)CC1(C)C
InChIInChI=1S/C17H24F3NO/c1-12-7-8-16(22,10-15(12,2)3)11-21-14-6-4-5-13(9-14)17(18,19)20/h4-6,9,12,21-22H,7-8,10-11H2,1-3H3
InChIKeyIGFWYKYTDSZQMT-UHFFFAOYSA-N
XLogP4.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 70681012
cis-(1S,5R)-3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 70687374
4-{1-[4-(Trifluoromethyl)anilino]propan-2-yl}-adamantan-1-ol
CID 132275913
4-[2-(4-Fluoroanilino)ethyl]adamantan-1-ol
CID 132275954
2-[Anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol
CID 24805250
3-[[3-Fluoro-5-(trifluoromethyl)anilino]methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 53344797
3,3,5-Trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 53345900
3,3,5-Trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 53345901
3-[[3,5-Bis(trifluoromethyl)anilino]methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 53346218
4-[(5-Hydroxy-1,3,3-trimethylcyclohexyl)methylamino]-2-(trifluoromethyl)benzonitrile
CID 53346326
3-[[3-Fluoro-5-(trifluoromethyl)anilino]methyl]-1,3,5,5-tetramethylcyclohexan-1-ol
CID 53346440
3,3,5-Trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 58387550

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The IUPAC name of 3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol (CID 67364648) is 3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol is CC1CCC(O)(CNc2cccc(C(F)(F)F)c2)CC1(C)C.
What is the InChIKey of 3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The InChIKey is IGFWYKYTDSZQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO/c1-12-7-8-16(22,10-15(12,2)3)11-21-14-6-4-5-13(9-14)17(18,19)20/h4-6,9,12,21-22H,7-8,10-11H2,1-3H3.
What are the key properties of 3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol has a molecular weight of 315.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-1-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 67364648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).