5-bromo-2-methylaniline;hydrochloride

C7H9BrClN — CID 46831034

IUPAC5-bromo-2-methylaniline;hydrochloride
SMILESCc1ccc(Br)cc1N.Cl
InChIInChI=1S/C7H8BrN.ClH/c1-5-2-3-6(8)4-7(5)9;/h2-4H,9H2,1H3;1H
InChIKeyLXGZOIDOPRXXTA-UHFFFAOYSA-N
MW222.51 g/mol
LogP2.76
Rot. Bonds

About 5-bromo-2-methylaniline;hydrochloride

5-bromo-2-methylaniline;hydrochloride (PubChem CID 46831034) has the molecular formula C7H9BrClN and a molecular weight of 222.51 g/mol. Its IUPAC name is 5-bromo-2-methylaniline;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-methylaniline;hydrochloride
PubChem CID46831034
Molecular FormulaC7H9BrClN
Molecular Weight222.51 g/mol
Exact Mass220.96
IUPAC Name5-bromo-2-methylaniline;hydrochloride
SMILESCc1ccc(Br)cc1N.Cl
InChIInChI=1S/C7H8BrN.ClH/c1-5-2-3-6(8)4-7(5)9;/h2-4H,9H2,1H3;1H
InChIKeyLXGZOIDOPRXXTA-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylaniline;hydrochloride?
The IUPAC name of 5-bromo-2-methylaniline;hydrochloride (CID 46831034) is 5-bromo-2-methylaniline;hydrochloride.
What is the SMILES notation for 5-bromo-2-methylaniline;hydrochloride?
The canonical SMILES for 5-bromo-2-methylaniline;hydrochloride is Cc1ccc(Br)cc1N.Cl.
What is the InChIKey of 5-bromo-2-methylaniline;hydrochloride?
The InChIKey is LXGZOIDOPRXXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN.ClH/c1-5-2-3-6(8)4-7(5)9;/h2-4H,9H2,1H3;1H.
What are the key properties of 5-bromo-2-methylaniline;hydrochloride?
5-bromo-2-methylaniline;hydrochloride has a molecular weight of 222.51 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylaniline;hydrochloride is sourced from PubChem (CID 46831034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).