6,7,8,9-tetrahydrodibenzofuran-4-amine

C12H13NO — CID 3159670

IUPAC6,7,8,9-tetrahydrodibenzofuran-4-amine
SMILESNc1cccc2c3c(oc12)CCCC3
InChIInChI=1S/C12H13NO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h3,5-6H,1-2,4,7,13H2
InChIKeyWVRHKNJJKUUMBS-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.89
Rot. Bonds

About 6,7,8,9-tetrahydrodibenzofuran-4-amine

6,7,8,9-tetrahydrodibenzofuran-4-amine (PubChem CID 3159670) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 6,7,8,9-tetrahydrodibenzofuran-4-amine.

Molecular Properties

Compound Name6,7,8,9-tetrahydrodibenzofuran-4-amine
PubChem CID3159670
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name6,7,8,9-tetrahydrodibenzofuran-4-amine
SMILESNc1cccc2c3c(oc12)CCCC3
InChIInChI=1S/C12H13NO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h3,5-6H,1-2,4,7,13H2
InChIKeyWVRHKNJJKUUMBS-UHFFFAOYSA-N
XLogP2.89
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.89
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 6,7,8,9-tetrahydrodibenzofuran-4-amine?
The IUPAC name of 6,7,8,9-tetrahydrodibenzofuran-4-amine (CID 3159670) is 6,7,8,9-tetrahydrodibenzofuran-4-amine.
What is the SMILES notation for 6,7,8,9-tetrahydrodibenzofuran-4-amine?
The canonical SMILES for 6,7,8,9-tetrahydrodibenzofuran-4-amine is Nc1cccc2c3c(oc12)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydrodibenzofuran-4-amine?
The InChIKey is WVRHKNJJKUUMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h3,5-6H,1-2,4,7,13H2.
What are the key properties of 6,7,8,9-tetrahydrodibenzofuran-4-amine?
6,7,8,9-tetrahydrodibenzofuran-4-amine has a molecular weight of 187.24 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydrodibenzofuran-4-amine is sourced from PubChem (CID 3159670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).