2-(3,4-dichlorophenyl)-1,1-dimethylguanidine

C9H11Cl2N3 — CID 26155

IUPAC2-(3,4-dichlorophenyl)-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2N3/c1-14(2)9(12)13-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H2,12,13)
InChIKeyZYKHLGBMZVPXEA-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.50
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-1,1-dimethylguanidine

2-(3,4-dichlorophenyl)-1,1-dimethylguanidine (PubChem CID 26155) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1,1-dimethylguanidine
PubChem CID26155
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name2-(3,4-dichlorophenyl)-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2N3/c1-14(2)9(12)13-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H2,12,13)
InChIKeyZYKHLGBMZVPXEA-UHFFFAOYSA-N
XLogP2.50
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.50
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1,1-dimethylguanidine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1,1-dimethylguanidine (CID 26155) is 2-(3,4-dichlorophenyl)-1,1-dimethylguanidine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1,1-dimethylguanidine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1,1-dimethylguanidine is CN(C)/C(N)=N/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1,1-dimethylguanidine?
The InChIKey is ZYKHLGBMZVPXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c1-14(2)9(12)13-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H2,12,13).
What are the key properties of 2-(3,4-dichlorophenyl)-1,1-dimethylguanidine?
2-(3,4-dichlorophenyl)-1,1-dimethylguanidine has a molecular weight of 232.11 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1,1-dimethylguanidine is sourced from PubChem (CID 26155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).