3-methylaniline;hydrochloride

C7H10ClN — CID 522105

IUPAC3-methylaniline;hydrochloride
SMILESCc1cccc(N)c1.Cl
InChIInChI=1S/C7H9N.ClH/c1-6-3-2-4-7(8)5-6;/h2-5H,8H2,1H3;1H
InChIKeyVDXZPXIEEVOGLV-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.00
Rot. Bonds

About 3-methylaniline;hydrochloride

3-methylaniline;hydrochloride (PubChem CID 522105) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 3-methylaniline;hydrochloride.

Molecular Properties

Compound Name3-methylaniline;hydrochloride
PubChem CID522105
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name3-methylaniline;hydrochloride
SMILESCc1cccc(N)c1.Cl
InChIInChI=1S/C7H9N.ClH/c1-6-3-2-4-7(8)5-6;/h2-5H,8H2,1H3;1H
InChIKeyVDXZPXIEEVOGLV-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 3-methylaniline;hydrochloride?
The IUPAC name of 3-methylaniline;hydrochloride (CID 522105) is 3-methylaniline;hydrochloride.
What is the SMILES notation for 3-methylaniline;hydrochloride?
The canonical SMILES for 3-methylaniline;hydrochloride is Cc1cccc(N)c1.Cl.
What is the InChIKey of 3-methylaniline;hydrochloride?
The InChIKey is VDXZPXIEEVOGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.ClH/c1-6-3-2-4-7(8)5-6;/h2-5H,8H2,1H3;1H.
What are the key properties of 3-methylaniline;hydrochloride?
3-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 3-methylaniline;hydrochloride is sourced from PubChem (CID 522105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).