1-[(2-chlorophenyl)methyl]-2-methylguanidine

C9H12ClN3 — CID 19797

IUPAC1-[(2-chlorophenyl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCc1ccccc1Cl
InChIInChI=1S/C9H12ClN3/c1-12-9(11)13-6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H3,11,12,13)
InChIKeyVZOUWOCYHIWPJB-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.37
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-2-methylguanidine

1-[(2-chlorophenyl)methyl]-2-methylguanidine (PubChem CID 19797) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-methylguanidine
PubChem CID19797
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name1-[(2-chlorophenyl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCc1ccccc1Cl
InChIInChI=1S/C9H12ClN3/c1-12-9(11)13-6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H3,11,12,13)
InChIKeyVZOUWOCYHIWPJB-UHFFFAOYSA-N
XLogP1.37
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.37
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 1-[(2-chlorophenyl)methyl]-2-methylguanidine 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-[(2-chlorophenyl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-methylguanidine (CID 19797) is 1-[(2-chlorophenyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-methylguanidine is C/N=C(\N)NCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-methylguanidine?
The InChIKey is VZOUWOCYHIWPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-12-9(11)13-6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H3,11,12,13).
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-methylguanidine?
1-[(2-chlorophenyl)methyl]-2-methylguanidine has a molecular weight of 197.67 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-methylguanidine is sourced from PubChem (CID 19797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).