1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine

C10H11BrClN3 — CID 62909818

IUPAC1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine
SMILESN/C(=N\C1CC1)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H11BrClN3/c11-6-1-4-8(12)9(5-6)15-10(13)14-7-2-3-7/h1,4-5,7H,2-3H2,(H3,13,14,15)
InChIKeyJBXFCTWTURHXTA-UHFFFAOYSA-N
MW288.58 g/mol
LogP2.99
Rot. Bonds2

About 1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine

1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine (PubChem CID 62909818) has the molecular formula C10H11BrClN3 and a molecular weight of 288.58 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine
PubChem CID62909818
Molecular FormulaC10H11BrClN3
Molecular Weight288.58 g/mol
Exact Mass286.98
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine
SMILESN/C(=N\C1CC1)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H11BrClN3/c11-6-1-4-8(12)9(5-6)15-10(13)14-7-2-3-7/h1,4-5,7H,2-3H2,(H3,13,14,15)
InChIKeyJBXFCTWTURHXTA-UHFFFAOYSA-N
XLogP2.99
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.58
LogP ≤ 52.99
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'}

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Related Compounds

1-(2-chlorophenyl)-2-cyclopropylguanidine
CID 62378718
1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine
CID 62380699
1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine
CID 82758985
1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine
CID 107638204
1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine
CID 62380000
N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760899
2-amino-N-(5-bromo-2-chlorophenyl)-2-cyclopropylpropanamide
CID 62908062
2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine
CID 62379078
1-(5-bromo-2-chlorophenyl)-3-cyclopentylthiourea
CID 116508391
N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
CID 103707266
1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine
CID 116513464
2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine
CID 103416831

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine (CID 62909818) is 1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine is N/C(=N\C1CC1)Nc1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine?
The InChIKey is JBXFCTWTURHXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3/c11-6-1-4-8(12)9(5-6)15-10(13)14-7-2-3-7/h1,4-5,7H,2-3H2,(H3,13,14,15).
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine?
1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine has a molecular weight of 288.58 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine is sourced from PubChem (CID 62909818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).