2-(4-methylphenyl)guanidine;hydrochloride

C8H12ClN3 — CID 3028500

IUPAC2-(4-methylphenyl)guanidine;hydrochloride
SMILESCc1ccc(N=C(N)N)cc1.Cl
InChIInChI=1S/C8H11N3.ClH/c1-6-2-4-7(5-3-6)11-8(9)10;/h2-5H,1H3,(H4,9,10,11);1H
InChIKeyLLODBAHZYHQLNN-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.32
Rot. Bonds1

About 2-(4-methylphenyl)guanidine;hydrochloride

2-(4-methylphenyl)guanidine;hydrochloride (PubChem CID 3028500) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 2-(4-methylphenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(4-methylphenyl)guanidine;hydrochloride
PubChem CID3028500
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name2-(4-methylphenyl)guanidine;hydrochloride
SMILESCc1ccc(N=C(N)N)cc1.Cl
InChIInChI=1S/C8H11N3.ClH/c1-6-2-4-7(5-3-6)11-8(9)10;/h2-5H,1H3,(H4,9,10,11);1H
InChIKeyLLODBAHZYHQLNN-UHFFFAOYSA-N
XLogP1.32
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(4-methylphenyl)guanidine;hydrochloride 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 2-(4-methylphenyl)guanidine;hydrochloride?
The IUPAC name of 2-(4-methylphenyl)guanidine;hydrochloride (CID 3028500) is 2-(4-methylphenyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(4-methylphenyl)guanidine;hydrochloride?
The canonical SMILES for 2-(4-methylphenyl)guanidine;hydrochloride is Cc1ccc(N=C(N)N)cc1.Cl.
What is the InChIKey of 2-(4-methylphenyl)guanidine;hydrochloride?
The InChIKey is LLODBAHZYHQLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.ClH/c1-6-2-4-7(5-3-6)11-8(9)10;/h2-5H,1H3,(H4,9,10,11);1H.
What are the key properties of 2-(4-methylphenyl)guanidine;hydrochloride?
2-(4-methylphenyl)guanidine;hydrochloride has a molecular weight of 185.66 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)guanidine;hydrochloride is sourced from PubChem (CID 3028500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).