1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine

C13H19FN2O2 — CID 104705954

IUPAC1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCOC1(CNC(C)c2ccc(F)cn2)CCOC1
InChIInChI=1S/C13H19FN2O2/c1-10(12-4-3-11(14)7-15-12)16-8-13(17-2)5-6-18-9-13/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyUZUHAKJANRJQAD-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.68
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine

1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (PubChem CID 104705954) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
PubChem CID104705954
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCOC1(CNC(C)c2ccc(F)cn2)CCOC1
InChIInChI=1S/C13H19FN2O2/c1-10(12-4-3-11(14)7-15-12)16-8-13(17-2)5-6-18-9-13/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyUZUHAKJANRJQAD-UHFFFAOYSA-N
XLogP1.68
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (CID 104705954) is 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is COC1(CNC(C)c2ccc(F)cn2)CCOC1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The InChIKey is UZUHAKJANRJQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-10(12-4-3-11(14)7-15-12)16-8-13(17-2)5-6-18-9-13/h3-4,7,10,16H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 104705954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).