(2-methylphenyl)azanium chloride

C7H10ClN — CID 11171041

IUPAC(2-methylphenyl)azanium chloride
SMILESCc1ccccc1[NH3+].[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
LogP-2.13
Rot. Bonds

About (2-methylphenyl)azanium chloride

(2-methylphenyl)azanium chloride (PubChem CID 11171041) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is (2-methylphenyl)azanium chloride.

Molecular Properties

Compound Name(2-methylphenyl)azanium chloride
PubChem CID11171041
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name(2-methylphenyl)azanium chloride
SMILESCc1ccccc1[NH3+].[Cl-]
InChIInChI=1S/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H
InChIKeyOGVXWEOZQMAAIM-UHFFFAOYSA-N
XLogP-2.13
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 5-2.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)azanium chloride?
The IUPAC name of (2-methylphenyl)azanium chloride (CID 11171041) is (2-methylphenyl)azanium chloride.
What is the SMILES notation for (2-methylphenyl)azanium chloride?
The canonical SMILES for (2-methylphenyl)azanium chloride is Cc1ccccc1[NH3+].[Cl-].
What is the InChIKey of (2-methylphenyl)azanium chloride?
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-methylphenyl)azanium chloride?
(2-methylphenyl)azanium chloride has a molecular weight of 143.62 g/mol, XLogP of -2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)azanium chloride is sourced from PubChem (CID 11171041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).