Basic information
- Standard SMILES
Cc1[nH]c2ccccc2c1CCN1CCCC1c1ccc(Br)cc1- InChIKey
LOYIGZPFCASQIU-UHFFFAOYSA-N- Molecular formula
- C21H23BrN2
- Average molar mass
- 383.3 g/mol
- Monoisotopic mass
- 382.10446
Names & identifiers
- Preferred name
- 3-{2-[2-(4-bromophenyl)pyrrolidin-1-yl]ethyl}-2-methyl-1H-indole
- IUPAC
- 3-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]ethyl]-2-methyl-1H-indole
Names & synonyms
SCHEMBL1779373LOYIGZPFCASQIU-UHFFFAOYSA-N3-{2-[2-(4-bromophenyl)pyrrolidin-1-yl]ethyl}-2-methyl-1H-indole1189153-00-1DB-3391003-{2-[2-(4-bromo-phenyl)-pyrrolidin-1-yl]-ethyl}-2-methyl-1H-indole
Database identifiers
- PubChem CID
- 46197902
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 407
Related reactions
6 records
Compound notes
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