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

C11H14BrN3 — CID 82758985

IUPAC1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine
SMILESCc1ccc(Br)c(N/C(N)=N/C2CC2)c1
InChIInChI=1S/C11H14BrN3/c1-7-2-5-9(12)10(6-7)15-11(13)14-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H3,13,14,15)
InChIKeyMFAVTACFDISTDL-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.65
Rot. Bonds2

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

1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine (PubChem CID 82758985) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine
PubChem CID82758985
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine
SMILESCc1ccc(Br)c(N/C(N)=N/C2CC2)c1
InChIInChI=1S/C11H14BrN3/c1-7-2-5-9(12)10(6-7)15-11(13)14-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H3,13,14,15)
InChIKeyMFAVTACFDISTDL-UHFFFAOYSA-N
XLogP2.65
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.65
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

2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine
CID 62379078
2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine
CID 62379049
2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine
CID 103416831
1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine
CID 62380000
(2-bromo-5-methylphenyl)urea
CID 82707313
(2-bromo-5-methylphenyl)thiourea
CID 82757187
1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine
CID 62909818
2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82756721
N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 82756821
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544
(2-bromo-5-methylphenyl)hydrazine
CID 12891837
1-(2-chlorophenyl)-2-cyclopropylguanidine
CID 62378718

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine (CID 82758985) is 1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine is Cc1ccc(Br)c(N/C(N)=N/C2CC2)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine?
The InChIKey is MFAVTACFDISTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-7-2-5-9(12)10(6-7)15-11(13)14-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H3,13,14,15).
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine?
1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine has a molecular weight of 268.16 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine is sourced from PubChem (CID 82758985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).