6,7-dihydrodibenzofuran-3-amine

C12H11NO — CID 146429939

IUPAC6,7-dihydrodibenzofuran-3-amine
SMILESNc1ccc2c3c(oc2c1)CCC=C3
InChIInChI=1S/C12H11NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1,3,5-7H,2,4,13H2
InChIKeyIXBPBZAJFVPHRH-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.97
Rot. Bonds

About 6,7-dihydrodibenzofuran-3-amine

6,7-dihydrodibenzofuran-3-amine (PubChem CID 146429939) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 6,7-dihydrodibenzofuran-3-amine.

Molecular Properties

Compound Name6,7-dihydrodibenzofuran-3-amine
PubChem CID146429939
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name6,7-dihydrodibenzofuran-3-amine
SMILESNc1ccc2c3c(oc2c1)CCC=C3
InChIInChI=1S/C12H11NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1,3,5-7H,2,4,13H2
InChIKeyIXBPBZAJFVPHRH-UHFFFAOYSA-N
XLogP2.97
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.97
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 6,7-dihydrodibenzofuran-3-amine?
The IUPAC name of 6,7-dihydrodibenzofuran-3-amine (CID 146429939) is 6,7-dihydrodibenzofuran-3-amine.
What is the SMILES notation for 6,7-dihydrodibenzofuran-3-amine?
The canonical SMILES for 6,7-dihydrodibenzofuran-3-amine is Nc1ccc2c3c(oc2c1)CCC=C3.
What is the InChIKey of 6,7-dihydrodibenzofuran-3-amine?
The InChIKey is IXBPBZAJFVPHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1,3,5-7H,2,4,13H2.
What are the key properties of 6,7-dihydrodibenzofuran-3-amine?
6,7-dihydrodibenzofuran-3-amine has a molecular weight of 185.23 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 146429939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).