3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol

C18H26F3NO — CID 58387550

IUPAC3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
SMILESCc1cc(NCC2(C)CC(O)CC(C)(C)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H26F3NO/c1-12-5-13(18(19,20)21)7-14(6-12)22-11-17(4)9-15(23)8-16(2,3)10-17/h5-7,15,22-23H,8-11H2,1-4H3
InChIKeyKVDAKWKGQZLRBE-UHFFFAOYSA-N
MW329.41 g/mol
LogP5.00
Rot. Bonds3

About 3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol

3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol (PubChem CID 58387550) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is 3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
PubChem CID58387550
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
SMILESCc1cc(NCC2(C)CC(O)CC(C)(C)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H26F3NO/c1-12-5-13(18(19,20)21)7-14(6-12)22-11-17(4)9-15(23)8-16(2,3)10-17/h5-7,15,22-23H,8-11H2,1-4H3
InChIKeyKVDAKWKGQZLRBE-UHFFFAOYSA-N
XLogP5.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.41
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

cis-(1S,3R)-3-[(3-chloro-5-fluoroanilino)methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 53343287
cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 70681012
3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzonitrile
CID 70681013
cis-(1S,5R)-3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 70687374
cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol
CID 70689436
cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 70689437
cis-(1S,3R)-3-[[3-chloro-5-(trifluoromethyl)anilino]methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 70691544
2-(3-Toluidino)cyclohexanol
CID 12397121
N-(2-hydroxy)butyl-3-aminobenzotrifluoride
CID 14072196
3-[3,5-Bis(trifluoromethyl)anilino]propan-1-ol
CID 20488902
(3,3,3-Trifluoro-2-hydroxypropyl)-[3-(trifluoromethyl)phenyl]-[[3-(trifluoromethyl)phenyl]methyl]azanium bromide
CID 21301190
4-[4-Amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 28902491

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The IUPAC name of 3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol (CID 58387550) is 3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol is Cc1cc(NCC2(C)CC(O)CC(C)(C)C2)cc(C(F)(F)F)c1.
What is the InChIKey of 3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The InChIKey is KVDAKWKGQZLRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO/c1-12-5-13(18(19,20)21)7-14(6-12)22-11-17(4)9-15(23)8-16(2,3)10-17/h5-7,15,22-23H,8-11H2,1-4H3.
What are the key properties of 3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol has a molecular weight of 329.41 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-5-[[3-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 58387550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).