1-benzofuran-4-ylmethanamine

C9H9NO — CID 55291080

IUPAC1-benzofuran-4-ylmethanamine
SMILESNCc1cccc2occc12
InChIInChI=1S/C9H9NO/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5H,6,10H2
InChIKeyYQVDPDBPSDVIJS-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.89
Rot. Bonds1

About 1-benzofuran-4-ylmethanamine

1-benzofuran-4-ylmethanamine (PubChem CID 55291080) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-benzofuran-4-ylmethanamine.

Molecular Properties

Compound Name1-benzofuran-4-ylmethanamine
PubChem CID55291080
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name1-benzofuran-4-ylmethanamine
SMILESNCc1cccc2occc12
InChIInChI=1S/C9H9NO/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5H,6,10H2
InChIKeyYQVDPDBPSDVIJS-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-4-ylmethanamine?
The IUPAC name of 1-benzofuran-4-ylmethanamine (CID 55291080) is 1-benzofuran-4-ylmethanamine.
What is the SMILES notation for 1-benzofuran-4-ylmethanamine?
The canonical SMILES for 1-benzofuran-4-ylmethanamine is NCc1cccc2occc12.
What is the InChIKey of 1-benzofuran-4-ylmethanamine?
The InChIKey is YQVDPDBPSDVIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5H,6,10H2.
What are the key properties of 1-benzofuran-4-ylmethanamine?
1-benzofuran-4-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-4-ylmethanamine is sourced from PubChem (CID 55291080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).