2-[(3-chlorophenyl)methyl]guanidine;hydroiodide

C8H11ClIN3 — CID 167747614

IUPAC2-[(3-chlorophenyl)methyl]guanidine;hydroiodide
SMILESI.NC(N)=NCc1cccc(Cl)c1
InChIInChI=1S/C8H10ClN3.HI/c9-7-3-1-2-6(4-7)5-12-8(10)11;/h1-4H,5H2,(H4,10,11,12);1H
InChIKeyZLXQZQPTHLZJBR-UHFFFAOYSA-N
MW311.55 g/mol
LogP1.73
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]guanidine;hydroiodide

2-[(3-chlorophenyl)methyl]guanidine;hydroiodide (PubChem CID 167747614) has the molecular formula C8H11ClIN3 and a molecular weight of 311.55 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]guanidine;hydroiodide
PubChem CID167747614
Molecular FormulaC8H11ClIN3
Molecular Weight311.55 g/mol
Exact Mass310.97
IUPAC Name2-[(3-chlorophenyl)methyl]guanidine;hydroiodide
SMILESI.NC(N)=NCc1cccc(Cl)c1
InChIInChI=1S/C8H10ClN3.HI/c9-7-3-1-2-6(4-7)5-12-8(10)11;/h1-4H,5H2,(H4,10,11,12);1H
InChIKeyZLXQZQPTHLZJBR-UHFFFAOYSA-N
XLogP1.73
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.55
LogP ≤ 51.73
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[(3-chlorophenyl)methyl]guanidine;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
1-tert-butyl-2-[(3-chlorophenyl)methyl]guanidine
CID 62531902
2-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111024215
N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide
CID 20706455
N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide
CID 20706457
2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 110915540
2-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111024216
2-[[3-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110930301
2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110915389
1-butyl-2-[(3-chlorophenyl)methyl]-3-(diaminomethylidene)guanidine
CID 53307854
2-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)guanidine
CID 111024200
bis(2-[(3-methoxyphenyl)methyl]guanidine);sulfuric acid
CID 43810780

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-[(3-chlorophenyl)methyl]guanidine;hydroiodide (CID 167747614) is 2-[(3-chlorophenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]guanidine;hydroiodide is I.NC(N)=NCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]guanidine;hydroiodide?
The InChIKey is ZLXQZQPTHLZJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3.HI/c9-7-3-1-2-6(4-7)5-12-8(10)11;/h1-4H,5H2,(H4,10,11,12);1H.
What are the key properties of 2-[(3-chlorophenyl)methyl]guanidine;hydroiodide?
2-[(3-chlorophenyl)methyl]guanidine;hydroiodide has a molecular weight of 311.55 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 167747614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).