Basic information
- Standard SMILES
CC(C)CCNCc1ccc(Br)cc1Cl- InChIKey
MTDJBCKLRYROCF-UHFFFAOYSA-N- Molecular formula
- C12H17BrClN
- Average molar mass
- 290.63 g/mol
Names & identifiers
- Preferred name
- (4-Bromo-2-chloro-benzyl)-(3-methyl-butyl)-amine
- IUPAC
- N-[(4-bromo-2-chlorophenyl)methyl]-3-methylbutan-1-amine
Names & synonyms
SCHEMBL4074330MTDJBCKLRYROCF-UHFFFAOYSA-N(4-Bromo-2-chloro-benzyl)-(3-methyl-butyl)-amine
Database identifiers
- PubChem CID
- 57937814
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 175
Related reactions
2 records
Linked notes
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