Basic information
- CAS
827017-53-8- Standard SMILES
CCCCc1c(-c2ccc(Cl)cc2)c2ccccc2n1C- InChIKey
LJIPIICGDWSNBN-UHFFFAOYSA-N- Molecular formula
- C19H20ClN
- Average molar mass
- 297.8 g/mol
- Monoisotopic mass
- 297.1284273
Names & identifiers
- Preferred name
- 2-Butyl-3-(4-chlorophenyl)-1-methyl-1H-indole
- IUPAC
- 2-butyl-3-(4-chlorophenyl)-1-methylindole
Names & synonyms
827017-53-82-Butyl-3-(4-chlorophenyl)-1-methyl-1H-indoleDTXSID80837210
Database identifiers
- CAS
827017-53-8- PubChem CID
- 71417880
- DTXSID
DTXSID80837210- Nikkaji
- J2.118.804B
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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