3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine

C17H24F3N — CID 63407936

IUPAC3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CC(N)(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H24F3N/c1-12-8-15(2,3)11-16(21,9-12)10-13-4-6-14(7-5-13)17(18,19)20/h4-7,12H,8-11,21H2,1-3H3
InChIKeyHZVNJNQZFWWCPY-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.79
Rot. Bonds2

About 3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine

3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (PubChem CID 63407936) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
PubChem CID63407936
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CC(N)(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H24F3N/c1-12-8-15(2,3)11-16(21,9-12)10-13-4-6-14(7-5-13)17(18,19)20/h4-7,12H,8-11,21H2,1-3H3
InChIKeyHZVNJNQZFWWCPY-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-tert-butylphenyl)methyl]-3,3,5-trimethylcyclohexan-1-amine
CID 63407683
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62620107
1-[(2-chloro-4-fluorophenyl)methyl]-3,3,5-trimethylcyclohexan-1-amine
CID 55188085
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine
CID 62619932
2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 81304989
1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64751651
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62619930
3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79743892
4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 81014967
1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene
CID 140618544
3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol
CID 106823679
1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 60798898

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (CID 63407936) is 3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is CC1CC(C)(C)CC(N)(Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is HZVNJNQZFWWCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-12-8-15(2,3)11-16(21,9-12)10-13-4-6-14(7-5-13)17(18,19)20/h4-7,12H,8-11,21H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63407936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).