1-benzofuran-4-amine

C8H7NO — CID 11423621

IUPAC1-benzofuran-4-amine
SMILESNc1cccc2occc12
InChIInChI=1S/C8H7NO/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H,9H2
InChIKeyOCZGGFAZAPGFMC-UHFFFAOYSA-N
MW133.15 g/mol
LogP2.02
Rot. Bonds

About 1-benzofuran-4-amine

1-benzofuran-4-amine (PubChem CID 11423621) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 1-benzofuran-4-amine.

Molecular Properties

Compound Name1-benzofuran-4-amine
PubChem CID11423621
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name1-benzofuran-4-amine
SMILESNc1cccc2occc12
InChIInChI=1S/C8H7NO/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H,9H2
InChIKeyOCZGGFAZAPGFMC-UHFFFAOYSA-N
XLogP2.02
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-4-amine?
The IUPAC name of 1-benzofuran-4-amine (CID 11423621) is 1-benzofuran-4-amine.
What is the SMILES notation for 1-benzofuran-4-amine?
The canonical SMILES for 1-benzofuran-4-amine is Nc1cccc2occc12.
What is the InChIKey of 1-benzofuran-4-amine?
The InChIKey is OCZGGFAZAPGFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H,9H2.
What are the key properties of 1-benzofuran-4-amine?
1-benzofuran-4-amine has a molecular weight of 133.15 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-4-amine is sourced from PubChem (CID 11423621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).