Basic information
- CAS
63938-02-3- Standard SMILES
CN1CCC2=C(CCCC2)C1CCc1ccc([N+](=O)[O-])cc1- InChIKey
NHZSGFPRDZNUNP-UHFFFAOYSA-N- Molecular formula
- C18H24N2O2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.18377801
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-(4-nitrophenethyl)-
- IUPAC
- 2-methyl-1-[2-(4-nitrophenyl)ethyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline
- English name
- (+)-1,2,3,4,5,6,7,8-Octahydro-2-methyl-1-(4-nitrophenethyl)isoquinoline
- Molecular formula
- C18H24N2O2
- Molecular weight
- 300.4
Names & synonyms
63938-02-3ISOQUINOLINE, 1,2,3,4,5,6,7,8-OCTAHYDRO-2-METHYL-1-(4-NITROPHENETHYL)-RefChem:10876972-METHYL-1-(4-NITROPHENETHYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINEBRN 41495412-Methyl-1-[2-(4-nitrophenyl)ethyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline1-(4-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline(+)-1-(4-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline(-)-1-(4-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinolineIsoquinoline, 2-methyl-1-(4-nitrophenethyl)-1,2,3,4,5,6,7,8-octahydro-ISOQUINOLINE, 1,2,3,4,5,6,7,8-OCTAHYDRO-2-METHYL-1-(4-NITROPHENETHYL)-, (+)-ISOQUINOLINE, 1,2,3,4,5,6,7,8-OCTAHYDRO-2-METHYL-1-(4-NITROPHENETHYL)-, (-)-
Show more names
(-)-1,2,3,4,5,6,7,8-Octahydro-2-methyl-1-(4-nitrophenethyl)isoquinoline
Isoquinoline, 2-methyl-1-(4-nitrophenethyl)-1,2,3,4,5,6,7,8-octahydro-, (+)-Isoquinoline, 2-methyl-1-(4-nitrophenethyl)-1,2,3,4,5,6,7,8-octahydro-, (-)-DTXSID90981213(+)-1,2,3,4,5,6,7,8-Octahydro-2-methyl-1-(4-nitrophenethyl)isoquinoline63938-03-463938-04-5DB-299373
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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