1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-2-methyl-5-(4-methylphenoxy)-3,4-dihydro-1H-isoquinoline
Basic information
- CAS
67334-96-7- Standard SMILES
COc1cc(CC2c3cccc(Oc4ccc(C)cc4)c3CCN2C)ccc1Oc1ccc(C)cc1- InChIKey
HPCZXESYHGOMBO-UHFFFAOYSA-N- Molecular formula
- C32H33NO3
- Average molar mass
- 479.6 g/mol
- Monoisotopic mass
- 479.24604391
Names & identifiers
- Preferred name
- 1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-2-methyl-5-(4-methylphenoxy)-3,4-dihydro-1H-isoquinoline
- IUPAC
- 1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-2-methyl-5-(4-methylphenoxy)-3,4-dihydro-1H-isoquinoline
Names & synonyms
67334-96-7NSC1772601-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-2-methyl-5-(4-methylphenoxy)-3,4-dihydro-1H-isoquinolineDTXSID30306527NSC-1772601-{[3-Methoxy-4-(4-methylphenoxy)phenyl]methyl}-2-methyl-5-(4-methylphenoxy)-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- CAS
67334-96-7- PubChem CID
- 301103
- DTXSID
DTXSID30306527
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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