Basic information
- CAS
63937-48-4- Standard SMILES
COc1cc2c(cc1OC)C(CCc1cc(Cl)cc(Cl)c1OC)N(C)CC2- InChIKey
LCRXWIKBUJLRRR-UHFFFAOYSA-N- Molecular formula
- C21H25Cl2NO3
- Average molar mass
- 410.3 g/mol
- Monoisotopic mass
- 409.121149
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(3,5-dichloro-2-methoxy)phenethyl-6,7-dimethoxy-2-methyl-
- IUPAC
- 1-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
- English name
- 1-(3,5-Dichloro-2-methoxyphenethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C21H25Cl2NO3
- Molecular weight
- 410.33
Names & synonyms
63937-48-41-(3,5-Dichloro-2-methoxy)phenethyl-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-1-(3,5-dichloro-2-methoxy)phenethyl-6,7-dimethoxy-2-methyl-RefChem:349897DTXSID109811791-(3,5-Dichloro-2-methoxyphenethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline1-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolineDB-3004981-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolineIsoquinoline, 1-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-
Database identifiers
- CAS
63937-48-4- PubChem CID
- 45482
- DTXSID
DTXSID10981179- Nikkaji
- J86.403J
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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