Basic information
- CAS
63937-56-4- Standard SMILES
COc1cc2c(cc1OC)C(CCc1ccccc1[N+](=O)[O-])N(C)CC2- InChIKey
GEYZYDGDYWJOGO-UHFFFAOYSA-N- Molecular formula
- C20H24N2O4
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.17360725
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)-
- IUPAC
- 6,7-dimethoxy-2-methyl-1-[2-(2-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline
Names & synonyms
63937-56-4ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-(2-NITROPHENETHYL)-RefChem:10877456,7-DIMETHOXY-2-METHYL-1-(2-NITROPHENETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINEBRN 15116591-(2-Nitrophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)-1,2,3,4-tetrahydro-NIOSH/NX5031000DTXSID209811856,7-Dimethoxy-2-methyl-1-[2-(2-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolineNX50310000(+-)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)isoquinoline
Show more names
(+-)-1-(2'-Nitrophenaethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydro-isochinolinIsoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)-, (+-)-(+-)-1-(2'-Nitrophenaethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydro-isochinolin [German]
Database identifiers
- CAS
63937-56-4
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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