1-benzofuran-5-ylmethanamine

C9H9NO — CID 2795182

IUPAC1-benzofuran-5-ylmethanamine
SMILESNCc1ccc2occc2c1
InChIInChI=1S/C9H9NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6,10H2
InChIKeyOFMIMSPBHXZKRI-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.89
Rot. Bonds1

About 1-benzofuran-5-ylmethanamine

1-benzofuran-5-ylmethanamine (PubChem CID 2795182) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-benzofuran-5-ylmethanamine.

Molecular Properties

Compound Name1-benzofuran-5-ylmethanamine
PubChem CID2795182
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name1-benzofuran-5-ylmethanamine
SMILESNCc1ccc2occc2c1
InChIInChI=1S/C9H9NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6,10H2
InChIKeyOFMIMSPBHXZKRI-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-5-ylmethanamine?
The IUPAC name of 1-benzofuran-5-ylmethanamine (CID 2795182) is 1-benzofuran-5-ylmethanamine.
What is the SMILES notation for 1-benzofuran-5-ylmethanamine?
The canonical SMILES for 1-benzofuran-5-ylmethanamine is NCc1ccc2occc2c1.
What is the InChIKey of 1-benzofuran-5-ylmethanamine?
The InChIKey is OFMIMSPBHXZKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6,10H2.
What are the key properties of 1-benzofuran-5-ylmethanamine?
1-benzofuran-5-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-5-ylmethanamine is sourced from PubChem (CID 2795182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).