2-methoxyaniline;dihydrochloride

C7H11Cl2NO — CID 69020746

IUPAC2-methoxyaniline;dihydrochloride
SMILESCOc1ccccc1N.Cl.Cl
InChIInChI=1S/C7H9NO.2ClH/c1-9-7-5-3-2-4-6(7)8;;/h2-5H,8H2,1H3;2*1H
InChIKeyOUOZYUDBCZDKGA-UHFFFAOYSA-N
MW196.08 g/mol
LogP2.12
Rot. Bonds1

About 2-methoxyaniline;dihydrochloride

2-methoxyaniline;dihydrochloride (PubChem CID 69020746) has the molecular formula C7H11Cl2NO and a molecular weight of 196.08 g/mol. Its IUPAC name is 2-methoxyaniline;dihydrochloride.

Molecular Properties

Compound Name2-methoxyaniline;dihydrochloride
PubChem CID69020746
Molecular FormulaC7H11Cl2NO
Molecular Weight196.08 g/mol
Exact Mass195.02
IUPAC Name2-methoxyaniline;dihydrochloride
SMILESCOc1ccccc1N.Cl.Cl
InChIInChI=1S/C7H9NO.2ClH/c1-9-7-5-3-2-4-6(7)8;;/h2-5H,8H2,1H3;2*1H
InChIKeyOUOZYUDBCZDKGA-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxyaniline;dihydrochloride?
The IUPAC name of 2-methoxyaniline;dihydrochloride (CID 69020746) is 2-methoxyaniline;dihydrochloride.
What is the SMILES notation for 2-methoxyaniline;dihydrochloride?
The canonical SMILES for 2-methoxyaniline;dihydrochloride is COc1ccccc1N.Cl.Cl.
What is the InChIKey of 2-methoxyaniline;dihydrochloride?
The InChIKey is OUOZYUDBCZDKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.2ClH/c1-9-7-5-3-2-4-6(7)8;;/h2-5H,8H2,1H3;2*1H.
What are the key properties of 2-methoxyaniline;dihydrochloride?
2-methoxyaniline;dihydrochloride has a molecular weight of 196.08 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyaniline;dihydrochloride is sourced from PubChem (CID 69020746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).