Basic information
- Standard SMILES
C#CC(C)(C)Nc1ccc(Br)cc1- InChIKey
HXSPWYOPJVUDLY-UHFFFAOYSA-N- Molecular formula
- C11H12BrN
- Average molar mass
- 238.12 g/mol
- Monoisotopic mass
- 237.01531
Names & identifiers
- Preferred name
- 4-bromo-N-(2-methylbut-3-yn-2-yl)benzenamine
- IUPAC
- 4-bromo-N-(2-methylbut-3-yn-2-yl)aniline
Names & synonyms
4-bromo-N-(2-methylbut-3-yn-2-yl)benzenamine142559-77-1SCHEMBL2176010HXSPWYOPJVUDLY-UHFFFAOYSA-NDB-316409
Database identifiers
- PubChem CID
- 20082271
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Related reactions
6 records
Compound notes
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