Basic information
- CAS
14554-85-9- Standard SMILES
Cc1c(-c2ccc(OCCN3CCCC3)cc2)[nH]c2ccc(Cl)cc12- InChIKey
TZRVWLOPFNIQIQ-UHFFFAOYSA-N- Molecular formula
- C21H23ClN2O
- Average molar mass
- 354.9 g/mol
- Monoisotopic mass
- 354.1498911
Names & identifiers
- Preferred name
- INDOLE, 5-CHLORO-3-METHYL-2-(p-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-
- IUPAC
- 5-chloro-3-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indole
Names & synonyms
INDOLE, 5-CHLORO-3-METHYL-2-(p-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-14554-85-9BRN 14946465-Chloro-3-methyl-2-p-(beta-pyrrolidinoethoxy)phenylindole5-Chloro-3-methyl-2-(p-(2-(1-pyrrolidinyl)ethoxy)phenyl)indole5-21-04-00121 (Beilstein Handbook Reference)DTXSID901630925-CHLORO-3-METHYL-2-{4-[2-(PYRROLIDIN-1-YL)ETHOXY]PHENYL}-1H-INDOLE
Database identifiers
- CAS
14554-85-9- PubChem CID
- 26737
- DTXSID
DTXSID90163092
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 28.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…