1-Benzo[1,3]dioxol-5-ylmethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

HCID 12934236

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

Related reactions

5 records

Compound notes

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