4,5-dimethoxybenzene-1,2-diamine;dihydrochloride

C8H14Cl2N2O2 — CID 13000219

IUPAC4,5-dimethoxybenzene-1,2-diamine;dihydrochloride
SMILESCOc1cc(N)c(N)cc1OC.Cl.Cl
InChIInChI=1S/C8H12N2O2.2ClH/c1-11-7-3-5(9)6(10)4-8(7)12-2;;/h3-4H,9-10H2,1-2H3;2*1H
InChIKeyORAAOAMEUMZGGU-UHFFFAOYSA-N
MW241.12 g/mol
LogP1.71
Rot. Bonds2

About 4,5-dimethoxybenzene-1,2-diamine;dihydrochloride

4,5-dimethoxybenzene-1,2-diamine;dihydrochloride (PubChem CID 13000219) has the molecular formula C8H14Cl2N2O2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 4,5-dimethoxybenzene-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name4,5-dimethoxybenzene-1,2-diamine;dihydrochloride
PubChem CID13000219
Molecular FormulaC8H14Cl2N2O2
Molecular Weight241.12 g/mol
Exact Mass240.04
IUPAC Name4,5-dimethoxybenzene-1,2-diamine;dihydrochloride
SMILESCOc1cc(N)c(N)cc1OC.Cl.Cl
InChIInChI=1S/C8H12N2O2.2ClH/c1-11-7-3-5(9)6(10)4-8(7)12-2;;/h3-4H,9-10H2,1-2H3;2*1H
InChIKeyORAAOAMEUMZGGU-UHFFFAOYSA-N
XLogP1.71
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 51.71
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 4,5-dimethoxybenzene-1,2-diamine;dihydrochloride?
The IUPAC name of 4,5-dimethoxybenzene-1,2-diamine;dihydrochloride (CID 13000219) is 4,5-dimethoxybenzene-1,2-diamine;dihydrochloride.
What is the SMILES notation for 4,5-dimethoxybenzene-1,2-diamine;dihydrochloride?
The canonical SMILES for 4,5-dimethoxybenzene-1,2-diamine;dihydrochloride is COc1cc(N)c(N)cc1OC.Cl.Cl.
What is the InChIKey of 4,5-dimethoxybenzene-1,2-diamine;dihydrochloride?
The InChIKey is ORAAOAMEUMZGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.2ClH/c1-11-7-3-5(9)6(10)4-8(7)12-2;;/h3-4H,9-10H2,1-2H3;2*1H.
What are the key properties of 4,5-dimethoxybenzene-1,2-diamine;dihydrochloride?
4,5-dimethoxybenzene-1,2-diamine;dihydrochloride has a molecular weight of 241.12 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxybenzene-1,2-diamine;dihydrochloride is sourced from PubChem (CID 13000219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).