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

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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).