Basic information
- CAS
883993-84-8- Standard SMILES
CCOC(=O)C1CN(Cc2ccccc2)CC1c1ccc(Br)cc1- InChIKey
XVOWKWVSFLHRFU-UHFFFAOYSA-N- Molecular formula
- C20H22BrNO2
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 387.08339
Names & identifiers
- Preferred name
- 1-Benzyl-4-(4-bromo-phenyl)-pyrrolidine-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-benzyl-4-(4-bromophenyl)pyrrolidine-3-carboxylate
Names & synonyms
Ethyl 1-benzyl-4-(4-bromophenyl)pyrrolidine-3-carboxylate885959-02-41-Benzyl-4-(4-bromo-phenyl)-pyrrolidine-3-carboxylic acid ethyl ester883993-84-8ethyl trans-1-benzyl-4-(4-bromophenyl)pyrrolidine-3-carboxylateMFCD05662813starbld0020643SCHEMBL2197505DTXSID50408476B64056H54426F1911-4095
Database identifiers
- CAS
883993-84-8- PubChem CID
- 5113711
- DTXSID
DTXSID50408476
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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