2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine

C15H16ClN3 — CID 67872322

IUPAC2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/c1cc(Cl)ccc1-c1ccccc1
InChIInChI=1S/C15H16ClN3/c1-19(2)15(17)18-14-10-12(16)8-9-13(14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18)
InChIKeyPWXLIDOLGOJHQP-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.51
Rot. Bonds2

About 2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine

2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine (PubChem CID 67872322) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine
PubChem CID67872322
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/c1cc(Cl)ccc1-c1ccccc1
InChIInChI=1S/C15H16ClN3/c1-19(2)15(17)18-14-10-12(16)8-9-13(14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18)
InChIKeyPWXLIDOLGOJHQP-UHFFFAOYSA-N
XLogP3.51
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
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-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine 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-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine?
The IUPAC name of 2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine (CID 67872322) is 2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine.
What is the SMILES notation for 2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine?
The canonical SMILES for 2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine is CN(C)/C(N)=N/c1cc(Cl)ccc1-c1ccccc1.
What is the InChIKey of 2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine?
The InChIKey is PWXLIDOLGOJHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-19(2)15(17)18-14-10-12(16)8-9-13(14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18).
What are the key properties of 2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine?
2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine has a molecular weight of 273.77 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine is sourced from PubChem (CID 67872322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).