dibenzofuran-1,2-diamine

C12H10N2O — CID 21425844

IUPACdibenzofuran-1,2-diamine
SMILESNc1ccc2oc3ccccc3c2c1N
InChIInChI=1S/C12H10N2O/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6H,13-14H2
InChIKeyOLUOPPIKGNVRRJ-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.75
Rot. Bonds

About dibenzofuran-1,2-diamine

dibenzofuran-1,2-diamine (PubChem CID 21425844) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is dibenzofuran-1,2-diamine.

Molecular Properties

Compound Namedibenzofuran-1,2-diamine
PubChem CID21425844
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Namedibenzofuran-1,2-diamine
SMILESNc1ccc2oc3ccccc3c2c1N
InChIInChI=1S/C12H10N2O/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6H,13-14H2
InChIKeyOLUOPPIKGNVRRJ-UHFFFAOYSA-N
XLogP2.75
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dibenzofuran-1-ylaniline
CID 138698486
2-(2-trimethylsilylphenyl)dibenzofuran-1-amine
CID 174895023
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
2-deuteriodibenzofuran
CID 90735776
4-phenyldibenzofuran-1-amine
CID 175743038
dibenzofuran-2-amine
CID 19405
3-methyldibenzofuran-1,4-diamine
CID 68822096
6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene
CID 118655954
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
2-aminodibenzofuran-1-carboxylic acid;methyl 2-aminodibenzofuran-1-carboxylate
CID 158161401

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-1,2-diamine?
The IUPAC name of dibenzofuran-1,2-diamine (CID 21425844) is dibenzofuran-1,2-diamine.
What is the SMILES notation for dibenzofuran-1,2-diamine?
The canonical SMILES for dibenzofuran-1,2-diamine is Nc1ccc2oc3ccccc3c2c1N.
What is the InChIKey of dibenzofuran-1,2-diamine?
The InChIKey is OLUOPPIKGNVRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6H,13-14H2.
What are the key properties of dibenzofuran-1,2-diamine?
dibenzofuran-1,2-diamine has a molecular weight of 198.23 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-1,2-diamine is sourced from PubChem (CID 21425844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).