2-(4-Chlorobutyl)-1-methyl-3-phenyl-1H-indole
Basic information
- CAS
827017-55-0- Standard SMILES
Cn1c(CCCCCl)c(-c2ccccc2)c2ccccc21- InChIKey
YKWNVXHHDAFTPK-UHFFFAOYSA-N- Molecular formula
- C19H20ClN
- Average molar mass
- 297.8 g/mol
- Monoisotopic mass
- 297.1284273
Names & identifiers
- Preferred name
- 2-(4-Chlorobutyl)-1-methyl-3-phenyl-1H-indole
- IUPAC
- 2-(4-chlorobutyl)-1-methyl-3-phenylindole
Names & synonyms
827017-55-02-(4-Chlorobutyl)-1-methyl-3-phenyl-1H-indoleDTXSID10837208
Database identifiers
- CAS
827017-55-0- PubChem CID
- 71417878
- DTXSID
DTXSID10837208- Nikkaji
- J2.118.796H
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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