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

C12H17FN2O2 — CID 116764527

IUPAC(3-fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine
SMILESCOC1(C(N)c2ccncc2F)CCOCC1
InChIInChI=1S/C12H17FN2O2/c1-16-12(3-6-17-7-4-12)11(14)9-2-5-15-8-10(9)13/h2,5,8,11H,3-4,6-7,14H2,1H3
InChIKeyVKTFYQZSJLMMGH-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.42
Rot. Bonds3

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

(3-fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine (PubChem CID 116764527) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine
PubChem CID116764527
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name(3-fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine
SMILESCOC1(C(N)c2ccncc2F)CCOCC1
InChIInChI=1S/C12H17FN2O2/c1-16-12(3-6-17-7-4-12)11(14)9-2-5-15-8-10(9)13/h2,5,8,11H,3-4,6-7,14H2,1H3
InChIKeyVKTFYQZSJLMMGH-UHFFFAOYSA-N
XLogP1.42
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine?
The IUPAC name of (3-fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine (CID 116764527) is (3-fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine is COC1(C(N)c2ccncc2F)CCOCC1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine?
The InChIKey is VKTFYQZSJLMMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-16-12(3-6-17-7-4-12)11(14)9-2-5-15-8-10(9)13/h2,5,8,11H,3-4,6-7,14H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine?
(3-fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine has a molecular weight of 240.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine is sourced from PubChem (CID 116764527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).