4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride

C9H16Cl2N2O — CID 134163331

IUPAC4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride
SMILESCOc1ccc(N(C)C)c(N)c1.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-11(2)9-5-4-7(12-3)6-8(9)10;;/h4-6H,10H2,1-3H3;2*1H
InChIKeyOXSAYFCVGXYFAN-UHFFFAOYSA-N
MW239.15 g/mol
LogP2.19
Rot. Bonds2

About 4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride

4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride (PubChem CID 134163331) has the molecular formula C9H16Cl2N2O and a molecular weight of 239.15 g/mol. Its IUPAC name is 4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride
PubChem CID134163331
Molecular FormulaC9H16Cl2N2O
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride
SMILESCOc1ccc(N(C)C)c(N)c1.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-11(2)9-5-4-7(12-3)6-8(9)10;;/h4-6H,10H2,1-3H3;2*1H
InChIKeyOXSAYFCVGXYFAN-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride?
The IUPAC name of 4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride (CID 134163331) is 4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride.
What is the SMILES notation for 4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride?
The canonical SMILES for 4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride is COc1ccc(N(C)C)c(N)c1.Cl.Cl.
What is the InChIKey of 4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride?
The InChIKey is OXSAYFCVGXYFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.2ClH/c1-11(2)9-5-4-7(12-3)6-8(9)10;;/h4-6H,10H2,1-3H3;2*1H.
What are the key properties of 4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride?
4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N,1-N-dimethylbenzene-1,2-diamine;dihydrochloride is sourced from PubChem (CID 134163331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).