dibenzofuran-3-amine

C12H9NO — CID 20061

IUPACdibenzofuran-3-amine
SMILESNc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H9NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H,13H2
InChIKeyGHQCIALFYKYZGS-UHFFFAOYSA-N
MW183.21 g/mol
LogP3.17
Rot. Bonds

About dibenzofuran-3-amine

dibenzofuran-3-amine (PubChem CID 20061) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is dibenzofuran-3-amine.

Molecular Properties

Compound Namedibenzofuran-3-amine
PubChem CID20061
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Namedibenzofuran-3-amine
SMILESNc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H9NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H,13H2
InChIKeyGHQCIALFYKYZGS-UHFFFAOYSA-N
XLogP3.17
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 53.17
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 dibenzofuran-3-amine?
The IUPAC name of dibenzofuran-3-amine (CID 20061) is dibenzofuran-3-amine.
What is the SMILES notation for dibenzofuran-3-amine?
The canonical SMILES for dibenzofuran-3-amine is Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of dibenzofuran-3-amine?
The InChIKey is GHQCIALFYKYZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H,13H2.
What are the key properties of dibenzofuran-3-amine?
dibenzofuran-3-amine has a molecular weight of 183.21 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-3-amine is sourced from PubChem (CID 20061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).