1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine

C12H13FN2O — CID 115886247

IUPAC1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine
SMILESCC(NCc1ccoc1)c1ccc(F)cn1
InChIInChI=1S/C12H13FN2O/c1-9(12-3-2-11(13)7-15-12)14-6-10-4-5-16-8-10/h2-5,7-9,14H,6H2,1H3
InChIKeyGHSVZKKRVALIRB-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.66
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine

1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine (PubChem CID 115886247) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine
PubChem CID115886247
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine
SMILESCC(NCc1ccoc1)c1ccc(F)cn1
InChIInChI=1S/C12H13FN2O/c1-9(12-3-2-11(13)7-15-12)14-6-10-4-5-16-8-10/h2-5,7-9,14H,6H2,1H3
InChIKeyGHSVZKKRVALIRB-UHFFFAOYSA-N
XLogP2.66
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine (CID 115886247) is 1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine is CC(NCc1ccoc1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine?
The InChIKey is GHSVZKKRVALIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-9(12-3-2-11(13)7-15-12)14-6-10-4-5-16-8-10/h2-5,7-9,14H,6H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine?
1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine has a molecular weight of 220.25 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine is sourced from PubChem (CID 115886247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).