1-benzofuran-3-ylmethanamine

C9H9NO — CID 23504847

IUPAC1-benzofuran-3-ylmethanamine
SMILESNCc1coc2ccccc12
InChIInChI=1S/C9H9NO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2
InChIKeyYATHOKUVGYAFOO-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.89
Rot. Bonds1

About 1-benzofuran-3-ylmethanamine

1-benzofuran-3-ylmethanamine (PubChem CID 23504847) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-benzofuran-3-ylmethanamine.

Molecular Properties

Compound Name1-benzofuran-3-ylmethanamine
PubChem CID23504847
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name1-benzofuran-3-ylmethanamine
SMILESNCc1coc2ccccc12
InChIInChI=1S/C9H9NO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2
InChIKeyYATHOKUVGYAFOO-UHFFFAOYSA-N
XLogP1.89
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-ylmethanamine?
The IUPAC name of 1-benzofuran-3-ylmethanamine (CID 23504847) is 1-benzofuran-3-ylmethanamine.
What is the SMILES notation for 1-benzofuran-3-ylmethanamine?
The canonical SMILES for 1-benzofuran-3-ylmethanamine is NCc1coc2ccccc12.
What is the InChIKey of 1-benzofuran-3-ylmethanamine?
The InChIKey is YATHOKUVGYAFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2.
What are the key properties of 1-benzofuran-3-ylmethanamine?
1-benzofuran-3-ylmethanamine has a molecular weight of 147.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-ylmethanamine is sourced from PubChem (CID 23504847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).