dibenzo-p-dioxin-1,4-diamine

C12H10N2O2 — CID 45028383

IUPACdibenzo-p-dioxin-1,4-diamine
SMILESNc1ccc(N)c2c1Oc1ccccc1O2
InChIInChI=1S/C12H10N2O2/c13-7-5-6-8(14)12-11(7)15-9-3-1-2-4-10(9)16-12/h1-6H,13-14H2
InChIKeyQODZEIBXRXTELO-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.75
Rot. Bonds

About dibenzo-p-dioxin-1,4-diamine

dibenzo-p-dioxin-1,4-diamine (PubChem CID 45028383) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is dibenzo-p-dioxin-1,4-diamine.

Molecular Properties

Compound Namedibenzo-p-dioxin-1,4-diamine
PubChem CID45028383
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Namedibenzo-p-dioxin-1,4-diamine
SMILESNc1ccc(N)c2c1Oc1ccccc1O2
InChIInChI=1S/C12H10N2O2/c13-7-5-6-8(14)12-11(7)15-9-3-1-2-4-10(9)16-12/h1-6H,13-14H2
InChIKeyQODZEIBXRXTELO-UHFFFAOYSA-N
XLogP2.75
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibenzo-p-dioxin-1,4-diamine?
The IUPAC name of dibenzo-p-dioxin-1,4-diamine (CID 45028383) is dibenzo-p-dioxin-1,4-diamine.
What is the SMILES notation for dibenzo-p-dioxin-1,4-diamine?
The canonical SMILES for dibenzo-p-dioxin-1,4-diamine is Nc1ccc(N)c2c1Oc1ccccc1O2.
What is the InChIKey of dibenzo-p-dioxin-1,4-diamine?
The InChIKey is QODZEIBXRXTELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c13-7-5-6-8(14)12-11(7)15-9-3-1-2-4-10(9)16-12/h1-6H,13-14H2.
What are the key properties of dibenzo-p-dioxin-1,4-diamine?
dibenzo-p-dioxin-1,4-diamine has a molecular weight of 214.22 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzo-p-dioxin-1,4-diamine is sourced from PubChem (CID 45028383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).