amino(phenyl)azanium chloride

C6H9ClN2 — CID 14325810

IUPACamino(phenyl)azanium chloride
SMILESN[NH2+]c1ccccc1.[Cl-]
InChIInChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H
InChIKeyJOVOSQBPPZZESK-UHFFFAOYSA-N
MW144.60 g/mol
LogP-3.24
Rot. Bonds1

About amino(phenyl)azanium chloride

amino(phenyl)azanium chloride (PubChem CID 14325810) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is amino(phenyl)azanium chloride.

Molecular Properties

Compound Nameamino(phenyl)azanium chloride
PubChem CID14325810
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Nameamino(phenyl)azanium chloride
SMILESN[NH2+]c1ccccc1.[Cl-]
InChIInChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H
InChIKeyJOVOSQBPPZZESK-UHFFFAOYSA-N
XLogP-3.24
TPSA42.63 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 5-3.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino(phenyl)azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of amino(phenyl)azanium chloride?
The IUPAC name of amino(phenyl)azanium chloride (CID 14325810) is amino(phenyl)azanium chloride.
What is the SMILES notation for amino(phenyl)azanium chloride?
The canonical SMILES for amino(phenyl)azanium chloride is N[NH2+]c1ccccc1.[Cl-].
What is the InChIKey of amino(phenyl)azanium chloride?
The InChIKey is JOVOSQBPPZZESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H.
What are the key properties of amino(phenyl)azanium chloride?
amino(phenyl)azanium chloride has a molecular weight of 144.60 g/mol, XLogP of -3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino(phenyl)azanium chloride is sourced from PubChem (CID 14325810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).