N-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-bromo-4-methylaniline
Basic information
- CAS
340967-99-9- Standard SMILES
Cc1ccc(N=Cc2ccc3c(c2)OCO3)c(Br)c1- InChIKey
ZKNBJELNQKPWNT-UHFFFAOYSA-N- Molecular formula
- C15H12BrNO2
- Average molar mass
- 318.16 g/mol
- Monoisotopic mass
- 317.00514
Names & identifiers
- Preferred name
- N-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-bromo-4-methylaniline
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-N-(2-bromo-4-methylphenyl)methanimine
Names & synonyms
340967-99-9N-(1,3-Benzodioxol-5-ylmethylene)-2-bromo-4-methylbenzenamine1-(1,3-benzodioxol-5-yl)-N-(2-bromo-4-methylphenyl)methanimine1-(2H-1,3-Benzodioxol-5-yl)-N-(2-bromo-4-methylphenyl)methanimineTimTec1_005440DTXSID701182694HMS1549H06N-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-bromo-4-methylanilineSTK758825AKOS001743946NCGC00173219-01ST4041355
Show more names
EU-0085166AG-690/12764101N-(1,3-benzodioxol-5-ylmethylene)-N-(2-bromo-4-methylphenyl)amine
Database identifiers
- CAS
340967-99-9- PubChem CID
- 695847
- DTXSID
DTXSID701182694
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
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Compound notes
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