Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-(3-methylbut-2-enyl)-
Basic information
- CAS
63937-77-9- Standard SMILES
COc1cc2c(cc1OC)C(CCc1ccc(Cl)cc1)N(CC=C(C)C)CC2- InChIKey
GJFGPQLNCBQNPS-UHFFFAOYSA-N- Molecular formula
- C24H30ClNO2
- Average molar mass
- 400 g/mol
- Monoisotopic mass
- 399.1965069
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-(3-methylbut-2-enyl)-
- IUPAC
- 1-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinoline
Names & synonyms
63937-77-91-(4-Chlorophenethyl)-6,7-dimethoxy-2-(3-methylbut-2-enyl)-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-(3-methylbut-2-enyl)-RefChem:3499071-(4-Chlorophenethyl)-6,7-dimethoxy-2-(3-methylbut-2-en-1-yl)-1,2,3,4-tetrahydroisoquinolineDTXSID609812001-[2-(4-Chlorophenyl)ethyl]-6,7-dimethoxy-2-(3-methylbut-2-en-1-yl)-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- CAS
63937-77-9- PubChem CID
- 45515
- DTXSID
DTXSID60981200
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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