1-(2-chlorophenyl)-2-cyclopropylguanidine

C10H12ClN3 — CID 62378718

IUPAC1-(2-chlorophenyl)-2-cyclopropylguanidine
SMILESN/C(=N\C1CC1)Nc1ccccc1Cl
InChIInChI=1S/C10H12ClN3/c11-8-3-1-2-4-9(8)14-10(12)13-7-5-6-7/h1-4,7H,5-6H2,(H3,12,13,14)
InChIKeyRGCOEOVAEOBFLS-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.23
Rot. Bonds2

About 1-(2-chlorophenyl)-2-cyclopropylguanidine

1-(2-chlorophenyl)-2-cyclopropylguanidine (PubChem CID 62378718) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-cyclopropylguanidine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-cyclopropylguanidine
PubChem CID62378718
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name1-(2-chlorophenyl)-2-cyclopropylguanidine
SMILESN/C(=N\C1CC1)Nc1ccccc1Cl
InChIInChI=1S/C10H12ClN3/c11-8-3-1-2-4-9(8)14-10(12)13-7-5-6-7/h1-4,7H,5-6H2,(H3,12,13,14)
InChIKeyRGCOEOVAEOBFLS-UHFFFAOYSA-N
XLogP2.23
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.23
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)-2-cyclopropylguanidine 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

1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine
CID 62909818
2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine
CID 62381437
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine
CID 62362251
2-cyclopropyl-1-naphthalen-2-ylguanidine
CID 55068735
1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine
CID 82758985
2-cyclopropyl-1-(4-phenoxyphenyl)guanidine
CID 62380155
1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine
CID 139338223
1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine
CID 62380000
N-(2-chlorophenyl)thiane-4-carboxamide
CID 110858755
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82123218

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-cyclopropylguanidine?
The IUPAC name of 1-(2-chlorophenyl)-2-cyclopropylguanidine (CID 62378718) is 1-(2-chlorophenyl)-2-cyclopropylguanidine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-cyclopropylguanidine?
The canonical SMILES for 1-(2-chlorophenyl)-2-cyclopropylguanidine is N/C(=N\C1CC1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-cyclopropylguanidine?
The InChIKey is RGCOEOVAEOBFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c11-8-3-1-2-4-9(8)14-10(12)13-7-5-6-7/h1-4,7H,5-6H2,(H3,12,13,14).
What are the key properties of 1-(2-chlorophenyl)-2-cyclopropylguanidine?
1-(2-chlorophenyl)-2-cyclopropylguanidine has a molecular weight of 209.68 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-cyclopropylguanidine is sourced from PubChem (CID 62378718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).