3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine

C15H20F3N — CID 64752431

IUPAC3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCC1CC(C)CC(N)(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H20F3N/c1-10-7-11(2)9-14(19,8-10)12-5-3-4-6-13(12)15(16,17)18/h3-6,10-11H,7-9,19H2,1-2H3
InChIKeyBXEGYBUGKABTAS-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.32
Rot. Bonds1

About 3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine

3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 64752431) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID64752431
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCC1CC(C)CC(N)(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H20F3N/c1-10-7-11(2)9-14(19,8-10)12-5-3-4-6-13(12)15(16,17)18/h3-6,10-11H,7-9,19H2,1-2H3
InChIKeyBXEGYBUGKABTAS-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Phenylcyclohexylamine
CID 31862
Cyclohexanamine, 1-phenyl-, hydrochloride (1:1)
CID 200391
1-(4-Fluorophenyl)cyclohexan-1-amine
CID 24274287
1-(3-Fluorophenyl)cyclohexan-1-amine hydrochloride
CID 45259864
1-(3-Methylphenyl)cyclohexan-1-amine hydrochloride
CID 45259751
3-Phenylpentan-3-amine hydrochloride
CID 45036910
Cumylamine
CID 68509
1-(3-Fluorophenyl)cyclohexylamine
CID 3035993
2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
CID 15657682
4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine
CID 19107014
9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
CID 19107110
1-(3-Methylphenyl)cyclohexanamine
CID 36133764

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 64752431) is 3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine is CC1CC(C)CC(N)(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is BXEGYBUGKABTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10-7-11(2)9-14(19,8-10)12-5-3-4-6-13(12)15(16,17)18/h3-6,10-11H,7-9,19H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 64752431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).