dibenzofuran-1-amine

C12H9NO — CID 603099

IUPACdibenzofuran-1-amine
SMILESNc1cccc2oc3ccccc3c12
InChIInChI=1S/C12H9NO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H,13H2
InChIKeyRCDMUNHSQCVVBJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP3.17
Rot. Bonds

About dibenzofuran-1-amine

dibenzofuran-1-amine (PubChem CID 603099) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is dibenzofuran-1-amine.

Molecular Properties

Compound Namedibenzofuran-1-amine
PubChem CID603099
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Namedibenzofuran-1-amine
SMILESNc1cccc2oc3ccccc3c12
InChIInChI=1S/C12H9NO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H,13H2
InChIKeyRCDMUNHSQCVVBJ-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-1-amine?
The IUPAC name of dibenzofuran-1-amine (CID 603099) is dibenzofuran-1-amine.
What is the SMILES notation for dibenzofuran-1-amine?
The canonical SMILES for dibenzofuran-1-amine is Nc1cccc2oc3ccccc3c12.
What is the InChIKey of dibenzofuran-1-amine?
The InChIKey is RCDMUNHSQCVVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H,13H2.
What are the key properties of dibenzofuran-1-amine?
dibenzofuran-1-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-1-amine is sourced from PubChem (CID 603099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).