2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine

C12H14N2O — CID 43395475

IUPAC2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESc1cncc(CNCCc2ccco2)c1
InChIInChI=1S/C12H14N2O/c1-3-11(9-13-6-1)10-14-7-5-12-4-2-8-15-12/h1-4,6,8-9,14H,5,7,10H2
InChIKeyWXIQTQRWPPRZTA-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.01
Rot. Bonds5

About 2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine

2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 43395475) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID43395475
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESc1cncc(CNCCc2ccco2)c1
InChIInChI=1S/C12H14N2O/c1-3-11(9-13-6-1)10-14-7-5-12-4-2-8-15-12/h1-4,6,8-9,14H,5,7,10H2
InChIKeyWXIQTQRWPPRZTA-UHFFFAOYSA-N
XLogP2.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine (CID 43395475) is 2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine is c1cncc(CNCCc2ccco2)c1.
What is the InChIKey of 2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is WXIQTQRWPPRZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-11(9-13-6-1)10-14-7-5-12-4-2-8-15-12/h1-4,6,8-9,14H,5,7,10H2.
What are the key properties of 2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 202.26 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 43395475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).