8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine

C13H12BrF3N2 — CID 82758076

IUPAC8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCNc1cc(C(F)(F)F)nc2c(Br)ccc(C)c12
InChIInChI=1S/C13H12BrF3N2/c1-3-18-9-6-10(13(15,16)17)19-12-8(14)5-4-7(2)11(9)12/h4-6H,3H2,1-2H3,(H,18,19)
InChIKeyQIYIJDXERIGDLS-UHFFFAOYSA-N
MW333.15 g/mol
LogP4.76
Rot. Bonds2

About 8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine

8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 82758076) has the molecular formula C13H12BrF3N2 and a molecular weight of 333.15 g/mol. Its IUPAC name is 8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID82758076
Molecular FormulaC13H12BrF3N2
Molecular Weight333.15 g/mol
Exact Mass332.01
IUPAC Name8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCNc1cc(C(F)(F)F)nc2c(Br)ccc(C)c12
InChIInChI=1S/C13H12BrF3N2/c1-3-18-9-6-10(13(15,16)17)19-12-8(14)5-4-7(2)11(9)12/h4-6H,3H2,1-2H3,(H,18,19)
InChIKeyQIYIJDXERIGDLS-UHFFFAOYSA-N
XLogP4.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 82758076) is 8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine is CCNc1cc(C(F)(F)F)nc2c(Br)ccc(C)c12.
What is the InChIKey of 8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is QIYIJDXERIGDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2/c1-3-18-9-6-10(13(15,16)17)19-12-8(14)5-4-7(2)11(9)12/h4-6H,3H2,1-2H3,(H,18,19).
What are the key properties of 8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine?
8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 333.15 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 82758076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).