2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine

C11H13Br2N3O — CID 103416831

IUPAC2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine
SMILESCOc1cc(N/C(N)=N/C2CC2)c(Br)cc1Br
InChIInChI=1S/C11H13Br2N3O/c1-17-10-5-9(7(12)4-8(10)13)16-11(14)15-6-2-3-6/h4-6H,2-3H2,1H3,(H3,14,15,16)
InChIKeyOSMFNRNSPKHJJW-UHFFFAOYSA-N
MW363.05 g/mol
LogP3.11
Rot. Bonds3

About 2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine

2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine (PubChem CID 103416831) has the molecular formula C11H13Br2N3O and a molecular weight of 363.05 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine
PubChem CID103416831
Molecular FormulaC11H13Br2N3O
Molecular Weight363.05 g/mol
Exact Mass360.94
IUPAC Name2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine
SMILESCOc1cc(N/C(N)=N/C2CC2)c(Br)cc1Br
InChIInChI=1S/C11H13Br2N3O/c1-17-10-5-9(7(12)4-8(10)13)16-11(14)15-6-2-3-6/h4-6H,2-3H2,1H3,(H3,14,15,16)
InChIKeyOSMFNRNSPKHJJW-UHFFFAOYSA-N
XLogP3.11
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.05
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-bromo-5-methylphenyl)-2-cyclopropylguanidine
CID 82758985
1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine
CID 62380000
2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine
CID 62379049
2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine
CID 119146747
1-amino-3-(3-bromo-4-methoxyphenyl)-2-cyclopropylguanidine
CID 116515381
2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 119146746
1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine
CID 62909818
N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 103413589
1-[(2,4-dibromo-5-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 103416460
2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline
CID 103412121
(2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide
CID 103413783

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine (CID 103416831) is 2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine is COc1cc(N/C(N)=N/C2CC2)c(Br)cc1Br.
What is the InChIKey of 2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine?
The InChIKey is OSMFNRNSPKHJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3O/c1-17-10-5-9(7(12)4-8(10)13)16-11(14)15-6-2-3-6/h4-6H,2-3H2,1H3,(H3,14,15,16).
What are the key properties of 2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine?
2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine has a molecular weight of 363.05 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine is sourced from PubChem (CID 103416831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).