N'-(5-bromo-2,4-dimethylphenyl)methanediimine

C9H9BrN2 — CID 155049486

IUPACN'-(5-bromo-2,4-dimethylphenyl)methanediimine
SMILESCc1cc(C)c(N=C=N)cc1Br
InChIInChI=1S/C9H9BrN2/c1-6-3-7(2)9(12-5-11)4-8(6)10/h3-4,11H,1-2H3
InChIKeyGUNKJAOSWOFFBW-UHFFFAOYSA-N
MW225.09 g/mol
LogP3.45
Rot. Bonds1

About N'-(5-bromo-2,4-dimethylphenyl)methanediimine

N'-(5-bromo-2,4-dimethylphenyl)methanediimine (PubChem CID 155049486) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is N'-(5-bromo-2,4-dimethylphenyl)methanediimine.

Molecular Properties

Compound NameN'-(5-bromo-2,4-dimethylphenyl)methanediimine
PubChem CID155049486
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC NameN'-(5-bromo-2,4-dimethylphenyl)methanediimine
SMILESCc1cc(C)c(N=C=N)cc1Br
InChIInChI=1S/C9H9BrN2/c1-6-3-7(2)9(12-5-11)4-8(6)10/h3-4,11H,1-2H3
InChIKeyGUNKJAOSWOFFBW-UHFFFAOYSA-N
XLogP3.45
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2,4-dimethylphenyl)methanediimine?
The IUPAC name of N'-(5-bromo-2,4-dimethylphenyl)methanediimine (CID 155049486) is N'-(5-bromo-2,4-dimethylphenyl)methanediimine.
What is the SMILES notation for N'-(5-bromo-2,4-dimethylphenyl)methanediimine?
The canonical SMILES for N'-(5-bromo-2,4-dimethylphenyl)methanediimine is Cc1cc(C)c(N=C=N)cc1Br.
What is the InChIKey of N'-(5-bromo-2,4-dimethylphenyl)methanediimine?
The InChIKey is GUNKJAOSWOFFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-6-3-7(2)9(12-5-11)4-8(6)10/h3-4,11H,1-2H3.
What are the key properties of N'-(5-bromo-2,4-dimethylphenyl)methanediimine?
N'-(5-bromo-2,4-dimethylphenyl)methanediimine has a molecular weight of 225.09 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2,4-dimethylphenyl)methanediimine is sourced from PubChem (CID 155049486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).