3-Bromo-N-(1-butyl-2-pyrrolidinylidene)-4-methylbenzenamine
Basic information
- CAS
51170-63-9- Standard SMILES
CCCCN1CCCC1=Nc1ccc(C)c(Br)c1- InChIKey
DCDSHBDSTZTKBF-UHFFFAOYSA-N- Molecular formula
- C15H21BrN2
- Average molar mass
- 309.24 g/mol
- Monoisotopic mass
- 308.08881
Names & identifiers
- Preferred name
- 3-Bromo-N-(1-butyl-2-pyrrolidinylidene)-4-methylbenzenamine
- IUPAC
- N-(3-bromo-4-methylphenyl)-1-butylpyrrolidin-2-imine
Names & synonyms
BRN 14736073-Bromo-N-(1-butyl-2-pyrrolidinylidene)-4-methylbenzenaminePyrrolidine, 2-((3-bromo-4-methylphenyl)imino)-1-butyl-Benzenamine, 3-bromo-N-(1-butyl-2-pyrrolidinylidene)-4-methyl-51170-63-9
Database identifiers
- CAS
51170-63-9- PubChem CID
- 3039740
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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