2-methylaniline;hydrochloride

C7H10ClN — CID 12484

IUPAC2-methylaniline;hydrochloride
SMILESCc1ccccc1N.Cl
InChIInChI=1S/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H
InChIKeyOGVXWEOZQMAAIM-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.00
Rot. Bonds

About 2-methylaniline;hydrochloride

2-methylaniline;hydrochloride (PubChem CID 12484) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 2-methylaniline;hydrochloride.

Molecular Properties

Compound Name2-methylaniline;hydrochloride
PubChem CID12484
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name2-methylaniline;hydrochloride
SMILESCc1ccccc1N.Cl
InChIInChI=1S/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H
InChIKeyOGVXWEOZQMAAIM-UHFFFAOYSA-N
XLogP2.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.00
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 2-methylaniline;hydrochloride?
The IUPAC name of 2-methylaniline;hydrochloride (CID 12484) is 2-methylaniline;hydrochloride.
What is the SMILES notation for 2-methylaniline;hydrochloride?
The canonical SMILES for 2-methylaniline;hydrochloride is Cc1ccccc1N.Cl.
What is the InChIKey of 2-methylaniline;hydrochloride?
The InChIKey is OGVXWEOZQMAAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H.
What are the key properties of 2-methylaniline;hydrochloride?
2-methylaniline;hydrochloride has a molecular weight of 143.62 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylaniline;hydrochloride is sourced from PubChem (CID 12484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).