1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine

C15H22F3N — CID 105024260

IUPAC1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine
SMILESCC(C)(C)c1ccc(C(N)CCCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3N/c1-14(2,3)12-8-6-11(7-9-12)13(19)5-4-10-15(16,17)18/h6-9,13H,4-5,10,19H2,1-3H3
InChIKeyZUZIBYPOCYWZPX-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.72
Rot. Bonds4

About 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine

1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine (PubChem CID 105024260) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine
PubChem CID105024260
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine
SMILESCC(C)(C)c1ccc(C(N)CCCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3N/c1-14(2,3)12-8-6-11(7-9-12)13(19)5-4-10-15(16,17)18/h6-9,13H,4-5,10,19H2,1-3H3
InChIKeyZUZIBYPOCYWZPX-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-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

1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 113326937
(1S)-1-(4-tert-butylphenyl)hexan-1-amine
CID 28979853
1-(3,4-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105023906
1-(4-tert-butylphenyl)decan-1-amine
CID 65449130
1-(4-tert-butylphenyl)heptan-1-amine
CID 114752279
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
1-(4-tert-butylphenyl)-3-chloropropan-1-amine
CID 116937656
4-[(1R)-1-amino-4,4,4-trifluorobutyl]benzoic acid
CID 171198139
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
(1R)-1-(3,4-dimethylphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171200486
(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
CID 28744369
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine (CID 105024260) is 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine is CC(C)(C)c1ccc(C(N)CCCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is ZUZIBYPOCYWZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-14(2,3)12-8-6-11(7-9-12)13(19)5-4-10-15(16,17)18/h6-9,13H,4-5,10,19H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine?
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 105024260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).