4-chloro-2-methoxyaniline;hydrochloride

C7H9Cl2NO — CID 46739574

IUPAC4-chloro-2-methoxyaniline;hydrochloride
SMILESCOc1cc(Cl)ccc1N.Cl
InChIInChI=1S/C7H8ClNO.ClH/c1-10-7-4-5(8)2-3-6(7)9;/h2-4H,9H2,1H3;1H
InChIKeyZWGTWKFPYRUXKT-UHFFFAOYSA-N
MW194.06 g/mol
LogP2.35
Rot. Bonds1

About 4-chloro-2-methoxyaniline;hydrochloride

4-chloro-2-methoxyaniline;hydrochloride (PubChem CID 46739574) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is 4-chloro-2-methoxyaniline;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-methoxyaniline;hydrochloride
PubChem CID46739574
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name4-chloro-2-methoxyaniline;hydrochloride
SMILESCOc1cc(Cl)ccc1N.Cl
InChIInChI=1S/C7H8ClNO.ClH/c1-10-7-4-5(8)2-3-6(7)9;/h2-4H,9H2,1H3;1H
InChIKeyZWGTWKFPYRUXKT-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 52.35
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 4-chloro-2-methoxyaniline;hydrochloride?
The IUPAC name of 4-chloro-2-methoxyaniline;hydrochloride (CID 46739574) is 4-chloro-2-methoxyaniline;hydrochloride.
What is the SMILES notation for 4-chloro-2-methoxyaniline;hydrochloride?
The canonical SMILES for 4-chloro-2-methoxyaniline;hydrochloride is COc1cc(Cl)ccc1N.Cl.
What is the InChIKey of 4-chloro-2-methoxyaniline;hydrochloride?
The InChIKey is ZWGTWKFPYRUXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO.ClH/c1-10-7-4-5(8)2-3-6(7)9;/h2-4H,9H2,1H3;1H.
What are the key properties of 4-chloro-2-methoxyaniline;hydrochloride?
4-chloro-2-methoxyaniline;hydrochloride has a molecular weight of 194.06 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxyaniline;hydrochloride is sourced from PubChem (CID 46739574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).