6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine

C13H13F3N2 — CID 62201831

IUPAC6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCc1ccc2nc(C(F)(F)F)cc(NC)c2c1
InChIInChI=1S/C13H13F3N2/c1-3-8-4-5-10-9(6-8)11(17-2)7-12(18-10)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyXJKSBEBRWRBYST-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.86
Rot. Bonds2

About 6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine

6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 62201831) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID62201831
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCc1ccc2nc(C(F)(F)F)cc(NC)c2c1
InChIInChI=1S/C13H13F3N2/c1-3-8-4-5-10-9(6-8)11(17-2)7-12(18-10)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyXJKSBEBRWRBYST-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 62201831) is 6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine is CCc1ccc2nc(C(F)(F)F)cc(NC)c2c1.
What is the InChIKey of 6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is XJKSBEBRWRBYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-3-8-4-5-10-9(6-8)11(17-2)7-12(18-10)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,18).
What are the key properties of 6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 254.25 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 62201831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).