6-Methoxy-2-methyl-1-(2-(4-nitrophenyl)ethyl)-1,2,3,4-tetrahydroisoquinoline
Basic information
- CAS
63937-36-0- Standard SMILES
COc1ccc2c(c1)CCN(C)C2CCc1ccc([N+](=O)[O-])cc1- InChIKey
SIPXVTDBUYGIKR-UHFFFAOYSA-N- Molecular formula
- C19H22N2O3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.16304257
Names & identifiers
- Preferred name
- 6-Methoxy-2-methyl-1-(2-(4-nitrophenyl)ethyl)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 6-methoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline
- English name
- 1,2,3,4-Tetrahydro-6-methoxy-2-methyl-1-(4-nitrophenethyl)isoquinoline
- Molecular formula
- C19H22N2O3
- Molecular weight
- 326.39
Names & synonyms
63937-36-0DTXSID909811776-Methoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline6-Methoxy-2-methyl-1-(2-(4-nitrophenyl)ethyl)-1,2,3,4-tetrahydroisoquinolineRefChem:1074032DTXCID8014084496-METHOXY-2-METHYL-1-(4-NITROPHENETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINEBRN 15050691-(4-Nitrophenethyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 6-methoxy-2-methyl-1-(4-nitrophenethyl)-1,2,3,4-tetrahydro-ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6-METHOXY-2-METHYL-1-(4-NITROPHENETHYL)-5-21-04-00066 (Beilstein Handbook Reference)
Show more names
Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-
NIOSH/NX50850101,2,3,4-Tetrahydro-6-methoxy-2-methyl-1-(4-nitrophenethyl)isoquinolineDB-290983NX50850100(+-)-1,2,3,4-Tetrahydro-6-methoxy-2-methyl-1-(4-nitrophenethyl)isoquinoline(+-)-1-(4'-Nitrophenaethyl)-2-methyl-6-methoxy-1,2,3,4-tetrahydroisoquinolin(+-)-1-(4'-Nitrophenaethyl)-2-methyl-6-methoxy-1,2,3,4-tetrahydroisoquinolin [German]Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(4-nitrophenethyl)-, (+-)-
Database identifiers
- CAS
63937-36-0- PubChem CID
- 45479
- DTXSID
DTXSID90981177- Nikkaji
- J94.695H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Melting point
- 115 · 115-116 °C
- Boiling point
- 480.5 · 480.5±45.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- pka
- 8.35 · 8.35±0.40(Predicted)
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Related reactions
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Compound notes
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