3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine

C13H13F3N2O — CID 63232155

IUPAC3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine
SMILESCCc1cc2cccc(OCC(F)(F)F)c2nc1N
InChIInChI=1S/C13H13F3N2O/c1-2-8-6-9-4-3-5-10(11(9)18-12(8)17)19-7-13(14,15)16/h3-6H,2,7H2,1H3,(H2,17,18)
InChIKeyVIYRJTJVYCLPNX-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.32
Rot. Bonds3

About 3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine

3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine (PubChem CID 63232155) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine.

Molecular Properties

Compound Name3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine
PubChem CID63232155
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine
SMILESCCc1cc2cccc(OCC(F)(F)F)c2nc1N
InChIInChI=1S/C13H13F3N2O/c1-2-8-6-9-4-3-5-10(11(9)18-12(8)17)19-7-13(14,15)16/h3-6H,2,7H2,1H3,(H2,17,18)
InChIKeyVIYRJTJVYCLPNX-UHFFFAOYSA-N
XLogP3.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine?
The IUPAC name of 3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine (CID 63232155) is 3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine.
What is the SMILES notation for 3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine?
The canonical SMILES for 3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine is CCc1cc2cccc(OCC(F)(F)F)c2nc1N.
What is the InChIKey of 3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine?
The InChIKey is VIYRJTJVYCLPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-2-8-6-9-4-3-5-10(11(9)18-12(8)17)19-7-13(14,15)16/h3-6H,2,7H2,1H3,(H2,17,18).
What are the key properties of 3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine?
3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine has a molecular weight of 270.25 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine is sourced from PubChem (CID 63232155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).