1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine

C11H15F3N2O2 — CID 67509906

IUPAC1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
SMILESCCOc1cc(C(C)N)cnc1OCC(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c1-3-17-9-4-8(7(2)15)5-16-10(9)18-6-11(12,13)14/h4-5,7H,3,6,15H2,1-2H3
InChIKeyOLNVVYQDQNDOMH-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.44
Rot. Bonds5

About 1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine

1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine (PubChem CID 67509906) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
PubChem CID67509906
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
SMILESCCOc1cc(C(C)N)cnc1OCC(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c1-3-17-9-4-8(7(2)15)5-16-10(9)18-6-11(12,13)14/h4-5,7H,3,6,15H2,1-2H3
InChIKeyOLNVVYQDQNDOMH-UHFFFAOYSA-N
XLogP2.44
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine?
The IUPAC name of 1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine (CID 67509906) is 1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine is CCOc1cc(C(C)N)cnc1OCC(F)(F)F.
What is the InChIKey of 1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine?
The InChIKey is OLNVVYQDQNDOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-3-17-9-4-8(7(2)15)5-16-10(9)18-6-11(12,13)14/h4-5,7H,3,6,15H2,1-2H3.
What are the key properties of 1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine?
1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine has a molecular weight of 264.25 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 67509906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).