1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

C14H17F6N — CID 103309519

IUPAC1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESCC(C)(C)c1ccc(C(N)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H17F6N/c1-12(2,3)9-6-4-8(5-7-9)10(21)11(13(15,16)17)14(18,19)20/h4-7,10-11H,21H2,1-3H3
InChIKeyDSBIOAVSHBKTPA-UHFFFAOYSA-N
MW313.29 g/mol
LogP4.72
Rot. Bonds2

About 1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (PubChem CID 103309519) has the molecular formula C14H17F6N and a molecular weight of 313.29 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
PubChem CID103309519
Molecular FormulaC14H17F6N
Molecular Weight313.29 g/mol
Exact Mass313.13
IUPAC Name1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESCC(C)(C)c1ccc(C(N)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H17F6N/c1-12(2,3)9-6-4-8(5-7-9)10(21)11(13(15,16)17)14(18,19)20/h4-7,10-11H,21H2,1-3H3
InChIKeyDSBIOAVSHBKTPA-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-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

(1S)-1-(4-tert-butylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171246982
1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309498
1-(4-tert-butylphenyl)propane-1,2-diamine
CID 20546388
1-tert-butyl-4-[2-(4-tert-butylphenyl)-1,2-difluoroethyl]benzene
CID 58671895
(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3,3-dimethylbutan-2-ol
CID 171161092
1-(4-tert-butylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945713
(1S,3R)-3-amino-1-(4-tert-butylphenyl)-4,4,4-trifluorobutan-1-ol
CID 171237596
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 155096011
3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103311689
1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275444
(3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240277

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (CID 103309519) is 1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is CC(C)(C)c1ccc(C(N)C(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The InChIKey is DSBIOAVSHBKTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F6N/c1-12(2,3)9-6-4-8(5-7-9)10(21)11(13(15,16)17)14(18,19)20/h4-7,10-11H,21H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine has a molecular weight of 313.29 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103309519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).