4-[7-ethyl-2-(2-iodophenyl)-1H-indol-3-yl]butan-1-amine
Basic information
- CAS
5021-99-8- Standard SMILES
CCc1cccc2c(CCCCN)c(-c3ccccc3I)[nH]c12- InChIKey
FCUDVVKFGZWSBO-UHFFFAOYSA-N- Molecular formula
- C20H23IN2
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 418.0906
Names & identifiers
- Preferred name
- 4-[7-ethyl-2-(2-iodophenyl)-1H-indol-3-yl]butan-1-amine
- IUPAC
- 4-[7-ethyl-2-(2-iodophenyl)-1H-indol-3-yl]butan-1-amine
Names & synonyms
5021-99-84-[7-ethyl-2-(2-iodophenyl)-1H-indol-3-yl]butan-1-amineDTXSID10411542
Database identifiers
- CAS
5021-99-8- PubChem CID
- 5227568
- DTXSID
DTXSID10411542
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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