[3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine

C12H14N2O2 — CID 106887873

IUPAC[3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine
SMILESCCOc1cncc(-c2ccoc2CN)c1
InChIInChI=1S/C12H14N2O2/c1-2-15-10-5-9(7-14-8-10)11-3-4-16-12(11)6-13/h3-5,7-8H,2,6,13H2,1H3
InChIKeyJPVDFLDYUVKGKU-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.20
Rot. Bonds4

About [3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine

[3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine (PubChem CID 106887873) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is [3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine
PubChem CID106887873
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name[3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine
SMILESCCOc1cncc(-c2ccoc2CN)c1
InChIInChI=1S/C12H14N2O2/c1-2-15-10-5-9(7-14-8-10)11-3-4-16-12(11)6-13/h3-5,7-8H,2,6,13H2,1H3
InChIKeyJPVDFLDYUVKGKU-UHFFFAOYSA-N
XLogP2.20
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine?
The IUPAC name of [3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine (CID 106887873) is [3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine.
What is the SMILES notation for [3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine?
The canonical SMILES for [3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine is CCOc1cncc(-c2ccoc2CN)c1.
What is the InChIKey of [3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine?
The InChIKey is JPVDFLDYUVKGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-15-10-5-9(7-14-8-10)11-3-4-16-12(11)6-13/h3-5,7-8H,2,6,13H2,1H3.
What are the key properties of [3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine?
[3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine has a molecular weight of 218.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine is sourced from PubChem (CID 106887873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).