Basic information
- CAS
63937-50-8- Standard SMILES
COc1cc2c(cc1OC)C(CCc1c(Cl)cccc1Cl)N(C)CC2- InChIKey
LXGKFCALTYIGBW-UHFFFAOYSA-N- Molecular formula
- C20H23Cl2NO2
- Average molar mass
- 380.3 g/mol
- Monoisotopic mass
- 379.1105844
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(2,6-dichlorophenethyl)-6,7-dimethoxy-2-methyl-
- IUPAC
- 1-[2-(2,6-dichlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
- English name
- 1-(2,6-Dichlorophenethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C20H23Cl2NO2
- Molecular weight
- 380.31
Names & synonyms
63937-50-81-(2,6-Dichlorophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-1-(2,6-dichlorophenethyl)-6,7-dimethoxy-2-methyl-Isoquinoline, 1-(2,6-dichlorophenethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-RefChem:3498911-(2,6-DICHLOROPHENETHYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINEDTXSID809811811-[2-(2,6-Dichlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1-[2-(2,6-dichlorophenyl)ethyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-
Database identifiers
- CAS
63937-50-8- PubChem CID
- 45484
- DTXSID
DTXSID80981181- Nikkaji
- J86.405F
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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