N-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline

C17H18F3N — CID 164667555

IUPACN-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline
SMILESCC(C)(C)c1ccc(Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N/c1-16(2,3)12-8-10-13(11-9-12)21-15-7-5-4-6-14(15)17(18,19)20/h4-11,21H,1-3H3
InChIKeyDIPPCEOXXGCMBT-UHFFFAOYSA-N
MW293.33 g/mol
LogP5.75
Rot. Bonds2

About N-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline

N-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline (PubChem CID 164667555) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline
PubChem CID164667555
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline
SMILESCC(C)(C)c1ccc(Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N/c1-16(2,3)12-8-10-13(11-9-12)21-15-7-5-4-6-14(15)17(18,19)20/h4-11,21H,1-3H3
InChIKeyDIPPCEOXXGCMBT-UHFFFAOYSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.33
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Santoflex DD
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CID 22647
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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline (CID 164667555) is N-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline is CC(C)(C)c1ccc(Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline?
The InChIKey is DIPPCEOXXGCMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-16(2,3)12-8-10-13(11-9-12)21-15-7-5-4-6-14(15)17(18,19)20/h4-11,21H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline?
N-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline has a molecular weight of 293.33 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 164667555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).