4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine

C14H17F6N — CID 103311794

IUPAC4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine
SMILESCc1cc(C)c(CC(N)C(C(F)(F)F)C(F)(F)F)c(C)c1
InChIInChI=1S/C14H17F6N/c1-7-4-8(2)10(9(3)5-7)6-11(21)12(13(15,16)17)14(18,19)20/h4-5,11-12H,6,21H2,1-3H3
InChIKeyKDPBVJYDZSLHIN-UHFFFAOYSA-N
MW313.29 g/mol
LogP4.22
Rot. Bonds3

About 4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine

4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine (PubChem CID 103311794) has the molecular formula C14H17F6N and a molecular weight of 313.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine
PubChem CID103311794
Molecular FormulaC14H17F6N
Molecular Weight313.29 g/mol
Exact Mass313.13
IUPAC Name4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine
SMILESCc1cc(C)c(CC(N)C(C(F)(F)F)C(F)(F)F)c(C)c1
InChIInChI=1S/C14H17F6N/c1-7-4-8(2)10(9(3)5-7)6-11(21)12(13(15,16)17)14(18,19)20/h4-5,11-12H,6,21H2,1-3H3
InChIKeyKDPBVJYDZSLHIN-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-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

[1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105215820
1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103214849
3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 63716659
4,4,4-trifluoro-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311693
(2S)-2-amino-3-(2,4,6-trimethylphenyl)propanal
CID 54309982
4,4,4-trifluoro-1-(2-methoxy-5-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311787
1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103474840
5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 105024104
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine
CID 60818626
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549310
dimethyl 2-[(2,4,6-trimethylphenyl)methyl]propanedioate
CID 94276263

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine (CID 103311794) is 4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine is Cc1cc(C)c(CC(N)C(C(F)(F)F)C(F)(F)F)c(C)c1.
What is the InChIKey of 4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine?
The InChIKey is KDPBVJYDZSLHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F6N/c1-7-4-8(2)10(9(3)5-7)6-11(21)12(13(15,16)17)14(18,19)20/h4-5,11-12H,6,21H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine?
4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine has a molecular weight of 313.29 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine is sourced from PubChem (CID 103311794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).