N-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine

C18H15F3N2 — CID 146403409

IUPACN-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2nccc(NCCc3ccccc3)c2c1
InChIInChI=1S/C18H15F3N2/c19-18(20,21)14-6-7-16-15(12-14)17(9-11-23-16)22-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,22,23)
InChIKeyGMUNZYWEOYLMCE-UHFFFAOYSA-N
MW316.33 g/mol
LogP4.91
Rot. Bonds4

About N-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine

N-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine (PubChem CID 146403409) has the molecular formula C18H15F3N2 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine
PubChem CID146403409
Molecular FormulaC18H15F3N2
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2nccc(NCCc3ccccc3)c2c1
InChIInChI=1S/C18H15F3N2/c19-18(20,21)14-6-7-16-15(12-14)17(9-11-23-16)22-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,22,23)
InChIKeyGMUNZYWEOYLMCE-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine (CID 146403409) is N-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine is FC(F)(F)c1ccc2nccc(NCCc3ccccc3)c2c1.
What is the InChIKey of N-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine?
The InChIKey is GMUNZYWEOYLMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2/c19-18(20,21)14-6-7-16-15(12-14)17(9-11-23-16)22-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,22,23).
What are the key properties of N-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine?
N-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine has a molecular weight of 316.33 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-6-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 146403409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).