Basic information
- CAS
63938-66-9- Standard SMILES
COc1ccc2[nH]c(C)c(CCC3CCNC3)c2c1C- InChIKey
SSDCUVJVZRDTLF-UHFFFAOYSA-N- Molecular formula
- C17H24N2O
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.18886339
Names & identifiers
- Preferred name
- Indole, 2,4-dimethyl-5-methoxy-3-(2-(3-pyrrolinyl)ethyl)-
- IUPAC
- 5-methoxy-2,4-dimethyl-3-(2-pyrrolidin-3-ylethyl)-1H-indole
Names & synonyms
63938-66-95-Methoxy-2,4-dimethyl-3-(2-(3-pyrrolin-1-yl)ethyl)imdoleINDOLE, 2,4-DIMETHYL-5-METHOXY-3-(2-(3-PYRROLINYL)ETHYL)-RefChem:349166DTXSID409812485-METHOXY-2,4-DIMETHYL-3-[2-(PYRROLIDIN-3-YL)ETHYL]-1H-INDOLE
Database identifiers
- CAS
63938-66-9- PubChem CID
- 45600
- DTXSID
DTXSID40981248
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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