1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C16H22F3N — CID 64758388

IUPAC1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cc(C)cc(CC2(N)CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C16H22F3N/c1-11-6-12(2)8-13(7-11)9-15(20)5-3-4-14(10-15)16(17,18)19/h6-8,14H,3-5,9-10,20H2,1-2H3
InChIKeyJWJUEQQEBMZYQB-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.30
Rot. Bonds2

About 1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758388) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758388
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cc(C)cc(CC2(N)CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C16H22F3N/c1-11-6-12(2)8-13(7-11)9-15(20)5-3-4-14(10-15)16(17,18)19/h6-8,14H,3-5,9-10,20H2,1-2H3
InChIKeyJWJUEQQEBMZYQB-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 64758388) is 1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is Cc1cc(C)cc(CC2(N)CCCC(C(F)(F)F)C2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is JWJUEQQEBMZYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-11-6-12(2)8-13(7-11)9-15(20)5-3-4-14(10-15)16(17,18)19/h6-8,14H,3-5,9-10,20H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).