Basic information
- Standard SMILES
C=CCN(C)CCCCCc1ccc2c(ccn2-c2cccc(Br)c2)c1- InChIKey
XBOPRBDYUBTPPN-UHFFFAOYSA-N- Molecular formula
- C23H27BrN2
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 410.13576
Names & identifiers
- Preferred name
- Allyl-{5-[1-(3-bromo-phenyl)-1H-indol-5-yl]-pentyl}-methyl-amine
- IUPAC
- 5-[1-(3-bromophenyl)indol-5-yl]-N-methyl-N-prop-2-enylpentan-1-amine
Names & synonyms
SCHEMBL5736753XBOPRBDYUBTPPN-UHFFFAOYSA-NAllyl-{5-[1-(3-bromo-phenyl)-1H-indol-5-yl]-pentyl}-methyl-amineAllyl-{5-[1-(3-bromo-phenyl)-1H-indol -5-yl]-pentyl}-methyl-amine
Database identifiers
- PubChem CID
- 18679554
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 8.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 426
Related reactions
2 records
Compound notes
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