Basic information
- CAS
63937-76-8- Standard SMILES
CCN1CCc2cc(OC)c(OC)cc2C1CCc1ccc(Cl)cc1- InChIKey
SNYIPZNSOUVGTP-UHFFFAOYSA-N- Molecular formula
- C21H26ClNO2
- Average molar mass
- 359.9 g/mol
- Monoisotopic mass
- 359.1652068
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-ethyl-
- IUPAC
- 1-[2-(4-chlorophenyl)ethyl]-2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
- English name
- 1-(4-Chlorophenethyl)-6,7-dimethoxy-2-ethyl-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C21H26ClNO2
- Molecular weight
- 359.89
Names & synonyms
63937-76-8BRN 15062071-(4-Chlorophenethyl)-6,7-dimethoxy-2-ethyl-1,2,3,4-tetrahydroisoquinoline5-21-05-00280 (Beilstein Handbook Reference)Isoquinoline, 1-(4-chlorophenethyl)-6,7-dimethoxy-2-ethyl-1,2,3,4-tetrahydro-ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-(4-CHLOROPHENETHYL)-6,7-DIMETHOXY-2-ETHYL-RefChem:3499081-(4-Chlorophenethyl)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineDTXSID109811991-[2-(4-Chlorophenyl)ethyl]-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineDB-300621Isoquinoline, 1-[2-(4-chlorophenyl)ethyl]-2-ethyl-1,2,3,4-tetrahydro-6,7-dimethoxy-
Database identifiers
- CAS
63937-76-8- PubChem CID
- 45514
- DTXSID
DTXSID10981199- Nikkaji
- J86.402A
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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