Basic information
- Standard SMILES
Cc1cc(C)c(NCCCBr)c(Cl)c1- InChIKey
ZUJIJXWDFCDTLK-UHFFFAOYSA-N- Molecular formula
- C11H15BrClN
- Average molar mass
- 276.6 g/mol
Names & identifiers
- Preferred name
- (3-Bromo-propyl)-(2-chloro4,6-dimethyl-phenyl)-amine
- IUPAC
- N-(3-bromopropyl)-2-chloro-4,6-dimethylaniline
Names & synonyms
SCHEMBL5384236ZUJIJXWDFCDTLK-UHFFFAOYSA-N(3-Bromo-propy1)-(2-chloro-4,6-dimethyl-phenyl)-amine(3-Bromo-propyl)-(2-chloro-4,6-dimethyl-phenyl)-amine(3-Bromo-propyl)-(2-chloro4,6-dimethyl-phenyl)-amine
Database identifiers
- PubChem CID
- 21916144
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
Related reactions
5 records
Compound notes
Loading…