(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine

C13H19FN2O2 — CID 116765507

IUPAC(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine
SMILESCCOC1(C(N)c2ccncc2F)CCOCC1
InChIInChI=1S/C13H19FN2O2/c1-2-18-13(4-7-17-8-5-13)12(15)10-3-6-16-9-11(10)14/h3,6,9,12H,2,4-5,7-8,15H2,1H3
InChIKeyYQOGTKRJQIICIV-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.81
Rot. Bonds4

About (4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine

(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine (PubChem CID 116765507) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine
PubChem CID116765507
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine
SMILESCCOC1(C(N)c2ccncc2F)CCOCC1
InChIInChI=1S/C13H19FN2O2/c1-2-18-13(4-7-17-8-5-13)12(15)10-3-6-16-9-11(10)14/h3,6,9,12H,2,4-5,7-8,15H2,1H3
InChIKeyYQOGTKRJQIICIV-UHFFFAOYSA-N
XLogP1.81
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine?
The IUPAC name of (4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine (CID 116765507) is (4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine?
The canonical SMILES for (4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine is CCOC1(C(N)c2ccncc2F)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine?
The InChIKey is YQOGTKRJQIICIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-2-18-13(4-7-17-8-5-13)12(15)10-3-6-16-9-11(10)14/h3,6,9,12H,2,4-5,7-8,15H2,1H3.
What are the key properties of (4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine?
(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine has a molecular weight of 254.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine is sourced from PubChem (CID 116765507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).