Basic information
- Standard SMILES
CC(C)C(=O)CCN[C@@H](C)c1ccc(Br)cc1- InChIKey
WTCXKDSZUHYCLH-NSHDSACASA-N- Molecular formula
- C14H20BrNO
- Average molar mass
- 298.22 g/mol
- Monoisotopic mass
- 297.07283
Names & identifiers
- Preferred name
- (S)-1-(1-(4-bromophenyl)ethylamino)-4-methylpentan-3-one
- IUPAC
- 1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-4-methylpentan-3-one
Names & synonyms
SCHEMBL117678WTCXKDSZUHYCLH-NSHDSACASA-N(S)-1-(1-(4-bromophenyl)ethylamino)-4-methylpentan-3-one1-[(S)-1-(4-bromophenyl)-ethylamino]-4-methyl-pentan-3-one
Database identifiers
- PubChem CID
- 59635646
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Related reactions
15 records
Compound notes
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