Basic information
- Standard SMILES
COc1cc2c(cc1OC)C(Cc1ccc3c(c1)OCO3)NCC2- InChIKey
HOFWLPPBIBQUCV-UHFFFAOYSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- 1-Benzo[1,3]dioxol-5-ylmethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Names & synonyms
SCHEMBL2742522HOFWLPPBIBQUCV-UHFFFAOYSA-N1-benzo[1,3]dioxol-5-ylmethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline63697-74-5DB-3288671-(3,4-Methylenedioxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- PubChem CID
- 12934236
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 420
Related reactions
5 records
Compound notes
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