Basic information
- CAS
56287-50-4- Standard SMILES
CC1(CCOCCN2CCCC2)Oc2ccccc2O1- InChIKey
IYJDJHGCGMNJTM-UHFFFAOYSA-N- Molecular formula
- C16H23NO3
- Average molar mass
- 277.36 g/mol
- Monoisotopic mass
- 277.1677936
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 2-methyl-2-(2-(2-pyrrolidinoethoxy)ethyl)-
- IUPAC
- 1-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]pyrrolidine
Names & synonyms
BRN 16503851,3-BENZODIOXOLE, 2-METHYL-2-(2-(2-PYRROLIDINOETHOXY)ETHYL)-56287-50-42-Methyl-2-(2-(2-pyrrolidinoethoxy)ethyl)-1,3-benzodioxoleDTXSID802048275-20-01-00230 (Beilstein Handbook Reference)RefChem:217855DTXCID10127318SCHEMBL116295581-{2-[2-(2-methyl-2H-1,3-benzodioxol-2-yl)ethoxy]ethyl}pyrrolidine
Database identifiers
- CAS
56287-50-4- PubChem CID
- 41831
- DTXSID
DTXSID80204827- Nikkaji
- J71.477A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…