N,N-Dimethyl-2-[6-(1,7,8-trimethoxyisochroman-3-YL)benzo[1,3]dioxol-5-YL]ethanamine
Basic information
- CAS
62421-43-6- Standard SMILES
COc1ccc2c(c1OC)C(OC)OC(c1cc3c(cc1CCN(C)C)OCO3)C2- InChIKey
IIMBAKIBKFGMAU-UHFFFAOYSA-N- Molecular formula
- C23H29NO6
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.19948764
Names & identifiers
- Preferred name
- N,N-Dimethyl-2-[6-(1,7,8-trimethoxyisochroman-3-YL)benzo[1,3]dioxol-5-YL]ethanamine
- IUPAC
- N,N-dimethyl-2-[6-(1,7,8-trimethoxy-3,4-dihydro-1H-isochromen-3-yl)-1,3-benzodioxol-5-yl]ethanamine
Names & synonyms
62421-43-6NSC279537N,N-DIMETHYL-2-[6-(1,7,8-TRIMETHOXYISOCHROMAN-3-YL)BENZO[1,3]DIOXOL-5-YL]ETHANAMINEDTXSID90314002NSC-279537DS-002079N,N-Dimethyl-2-[6-(1,7,8-trimethoxy-3,4-dihydro-1H-2-benzopyran-3-yl)-2H-1,3-benzodioxol-5-yl]ethan-1-amine
Database identifiers
- CAS
62421-43-6- PubChem CID
- 322377
- DTXSID
DTXSID90314002
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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