2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine

C22H15F3N2 — CID 139593926

IUPAC2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine
SMILESFC(F)(F)c1ccccc1Nc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H15F3N2/c23-22(24,25)17-11-5-7-13-19(17)27-21-14-20(15-8-2-1-3-9-15)26-18-12-6-4-10-16(18)21/h1-14H,(H,26,27)
InChIKeyCTKDKJHQOGVHJF-UHFFFAOYSA-N
MW364.37 g/mol
LogP6.66
Rot. Bonds3

About 2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine

2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine (PubChem CID 139593926) has the molecular formula C22H15F3N2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine
PubChem CID139593926
Molecular FormulaC22H15F3N2
Molecular Weight364.37 g/mol
Exact Mass364.12
IUPAC Name2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine
SMILESFC(F)(F)c1ccccc1Nc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H15F3N2/c23-22(24,25)17-11-5-7-13-19(17)27-21-14-20(15-8-2-1-3-9-15)26-18-12-6-4-10-16(18)21/h1-14H,(H,26,27)
InChIKeyCTKDKJHQOGVHJF-UHFFFAOYSA-N
XLogP6.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine?
The IUPAC name of 2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine (CID 139593926) is 2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine.
What is the SMILES notation for 2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine?
The canonical SMILES for 2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine is FC(F)(F)c1ccccc1Nc1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine?
The InChIKey is CTKDKJHQOGVHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2/c23-22(24,25)17-11-5-7-13-19(17)27-21-14-20(15-8-2-1-3-9-15)26-18-12-6-4-10-16(18)21/h1-14H,(H,26,27).
What are the key properties of 2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine?
2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine has a molecular weight of 364.37 g/mol, XLogP of 6.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine is sourced from PubChem (CID 139593926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).