Basic information
- Standard SMILES
Cc1noc(-c2ccc(Br)cc2)c1CN(C)CCc1ccccc1- InChIKey
HPYKGZHLFVALMN-UHFFFAOYSA-N- Molecular formula
- C20H21BrN2O
- Average molar mass
- 385.3 g/mol
- Monoisotopic mass
- 384.08373
Names & identifiers
- Preferred name
- [5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-ylmethyl]-methyl-phenethyl-amine
- IUPAC
- N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-methyl-2-phenylethanamine
Names & synonyms
SCHEMBL1743HPYKGZHLFVALMN-UHFFFAOYSA-N[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-ylmethyl]-methyl-phenethyl-amine
Database identifiers
- PubChem CID
- 66577314
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 367
Related reactions
6 records
Compound notes
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