6-bromo-1-benzofuran-4-amine

C8H6BrNO — CID 155289967

IUPAC6-bromo-1-benzofuran-4-amine
SMILESNc1cc(Br)cc2occc12
InChIInChI=1S/C8H6BrNO/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4H,10H2
InChIKeyQTRZBRBGSHAUBC-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.78
Rot. Bonds

About 6-bromo-1-benzofuran-4-amine

6-bromo-1-benzofuran-4-amine (PubChem CID 155289967) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 6-bromo-1-benzofuran-4-amine.

Molecular Properties

Compound Name6-bromo-1-benzofuran-4-amine
PubChem CID155289967
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name6-bromo-1-benzofuran-4-amine
SMILESNc1cc(Br)cc2occc12
InChIInChI=1S/C8H6BrNO/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4H,10H2
InChIKeyQTRZBRBGSHAUBC-UHFFFAOYSA-N
XLogP2.78
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-1-benzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-benzofuran-4-amine?
The IUPAC name of 6-bromo-1-benzofuran-4-amine (CID 155289967) is 6-bromo-1-benzofuran-4-amine.
What is the SMILES notation for 6-bromo-1-benzofuran-4-amine?
The canonical SMILES for 6-bromo-1-benzofuran-4-amine is Nc1cc(Br)cc2occc12.
What is the InChIKey of 6-bromo-1-benzofuran-4-amine?
The InChIKey is QTRZBRBGSHAUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4H,10H2.
What are the key properties of 6-bromo-1-benzofuran-4-amine?
6-bromo-1-benzofuran-4-amine has a molecular weight of 212.05 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-benzofuran-4-amine is sourced from PubChem (CID 155289967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).