2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride

C9H16Cl2N2O — CID 19003912

IUPAC2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride
SMILESCOc1c(N)cc(C)c(N)c1C.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-5-4-7(10)9(12-3)6(2)8(5)11;;/h4H,10-11H2,1-3H3;2*1H
InChIKeyJBESLYPTBIFSNQ-UHFFFAOYSA-N
MW239.15 g/mol
LogP2.32
Rot. Bonds1

About 2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride

2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride (PubChem CID 19003912) has the molecular formula C9H16Cl2N2O and a molecular weight of 239.15 g/mol. Its IUPAC name is 2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride
PubChem CID19003912
Molecular FormulaC9H16Cl2N2O
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride
SMILESCOc1c(N)cc(C)c(N)c1C.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-5-4-7(10)9(12-3)6(2)8(5)11;;/h4H,10-11H2,1-3H3;2*1H
InChIKeyJBESLYPTBIFSNQ-UHFFFAOYSA-N
XLogP2.32
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride?
The IUPAC name of 2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride (CID 19003912) is 2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride.
What is the SMILES notation for 2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride?
The canonical SMILES for 2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride is COc1c(N)cc(C)c(N)c1C.Cl.Cl.
What is the InChIKey of 2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride?
The InChIKey is JBESLYPTBIFSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.2ClH/c1-5-4-7(10)9(12-3)6(2)8(5)11;;/h4H,10-11H2,1-3H3;2*1H.
What are the key properties of 2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride?
2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride is sourced from PubChem (CID 19003912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).