1-(furan-3-yl)ethanamine

C6H9NO — CID 11804704

IUPAC1-(furan-3-yl)ethanamine
SMILESCC(N)c1ccoc1
InChIInChI=1S/C6H9NO/c1-5(7)6-2-3-8-4-6/h2-5H,7H2,1H3
InChIKeySBVKKZRVKMOURL-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.30
Rot. Bonds1

About 1-(furan-3-yl)ethanamine

1-(furan-3-yl)ethanamine (PubChem CID 11804704) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(furan-3-yl)ethanamine
PubChem CID11804704
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1-(furan-3-yl)ethanamine
SMILESCC(N)c1ccoc1
InChIInChI=1S/C6H9NO/c1-5(7)6-2-3-8-4-6/h2-5H,7H2,1H3
InChIKeySBVKKZRVKMOURL-UHFFFAOYSA-N
XLogP1.30
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)ethanamine?
The IUPAC name of 1-(furan-3-yl)ethanamine (CID 11804704) is 1-(furan-3-yl)ethanamine.
What is the SMILES notation for 1-(furan-3-yl)ethanamine?
The canonical SMILES for 1-(furan-3-yl)ethanamine is CC(N)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)ethanamine?
The InChIKey is SBVKKZRVKMOURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5(7)6-2-3-8-4-6/h2-5H,7H2,1H3.
What are the key properties of 1-(furan-3-yl)ethanamine?
1-(furan-3-yl)ethanamine has a molecular weight of 111.14 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)ethanamine is sourced from PubChem (CID 11804704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).