2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine

C11H13Br2N3 — CID 62379049

IUPAC2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine
SMILESCc1cc(Br)c(N/C(N)=N/C2CC2)c(Br)c1
InChIInChI=1S/C11H13Br2N3/c1-6-4-8(12)10(9(13)5-6)16-11(14)15-7-2-3-7/h4-5,7H,2-3H2,1H3,(H3,14,15,16)
InChIKeyBELNFLOEXGWRBM-UHFFFAOYSA-N
MW347.05 g/mol
LogP3.41
Rot. Bonds2

About 2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine

2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine (PubChem CID 62379049) has the molecular formula C11H13Br2N3 and a molecular weight of 347.05 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine
PubChem CID62379049
Molecular FormulaC11H13Br2N3
Molecular Weight347.05 g/mol
Exact Mass344.95
IUPAC Name2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine
SMILESCc1cc(Br)c(N/C(N)=N/C2CC2)c(Br)c1
InChIInChI=1S/C11H13Br2N3/c1-6-4-8(12)10(9(13)5-6)16-11(14)15-7-2-3-7/h4-5,7H,2-3H2,1H3,(H3,14,15,16)
InChIKeyBELNFLOEXGWRBM-UHFFFAOYSA-N
XLogP3.41
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.05
LogP ≤ 53.41
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-bromo-5-methylphenyl)-2-cyclopropylguanidine
CID 82758985
1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine
CID 62380699
2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine
CID 62379078
2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine
CID 103416831
1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine
CID 62380000
4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 79526653
3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 63041984
1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine
CID 62909818
2-cyclopropyl-1-naphthalen-2-ylguanidine
CID 55068735
(1E)-2-[4-[[amino-[(E)-[amino-(3-methylanilino)methylidene]amino]methylidene]amino]cyclohexyl]-1-[amino-(3-methylanilino)methylidene]guanidine
CID 176680198
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine
CID 120666092
1-hydroxy-2-(4-methylcyclohexyl)guanidine
CID 62481066

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine (CID 62379049) is 2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine is Cc1cc(Br)c(N/C(N)=N/C2CC2)c(Br)c1.
What is the InChIKey of 2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine?
The InChIKey is BELNFLOEXGWRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3/c1-6-4-8(12)10(9(13)5-6)16-11(14)15-7-2-3-7/h4-5,7H,2-3H2,1H3,(H3,14,15,16).
What are the key properties of 2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine?
2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine has a molecular weight of 347.05 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine is sourced from PubChem (CID 62379049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).