1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide

C8H11ClIN4- — CID 45108864

IUPAC1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide
SMILESCc1cc(Cl)ccc1/N=C(\N)NN.[I-]
InChIInChI=1S/C8H11ClN4.HI/c1-5-4-6(9)2-3-7(5)12-8(10)13-11;/h2-4H,11H2,1H3,(H3,10,12,13);1H/p-1
InChIKeyODANTEIWOIOARY-UHFFFAOYSA-M
MW325.56 g/mol
LogP-1.94
Rot. Bonds1

About 1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide

1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide (PubChem CID 45108864) has the molecular formula C8H11ClIN4- and a molecular weight of 325.56 g/mol. Its IUPAC name is 1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide.

Molecular Properties

Compound Name1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide
PubChem CID45108864
Molecular FormulaC8H11ClIN4-
Molecular Weight325.56 g/mol
Exact Mass324.97
IUPAC Name1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide
SMILESCc1cc(Cl)ccc1/N=C(\N)NN.[I-]
InChIInChI=1S/C8H11ClN4.HI/c1-5-4-6(9)2-3-7(5)12-8(10)13-11;/h2-4H,11H2,1H3,(H3,10,12,13);1H/p-1
InChIKeyODANTEIWOIOARY-UHFFFAOYSA-M
XLogP-1.94
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.56
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide 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 1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide?
The IUPAC name of 1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide (CID 45108864) is 1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide.
What is the SMILES notation for 1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide?
The canonical SMILES for 1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide is Cc1cc(Cl)ccc1/N=C(\N)NN.[I-].
What is the InChIKey of 1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide?
The InChIKey is ODANTEIWOIOARY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11ClN4.HI/c1-5-4-6(9)2-3-7(5)12-8(10)13-11;/h2-4H,11H2,1H3,(H3,10,12,13);1H/p-1.
What are the key properties of 1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide?
1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide has a molecular weight of 325.56 g/mol, XLogP of -1.94, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-chloro-2-methylphenyl)guanidine iodide is sourced from PubChem (CID 45108864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).