Basic information
- CAS
5267-52-7- Standard SMILES
COc1cc2c(cc1OC)CN(Cc1ccccc1)CC2- InChIKey
CAWSVFVFDPTCOZ-UHFFFAOYSA-N- Molecular formula
- C18H21NO2
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.15722891
Names & identifiers
- Preferred name
- 2-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Names & synonyms
2-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline31756-14-62-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolineMLS0010005305267-52-7SMR000496036Cambridge id 5267527Oprea1_428493cid_35914CHEMBL1374085BDBM75129DTXSID20967101
Show more names
HMS2815M17AKOS016003551NCGC00245585-01AC-26904DB-364601AB00078109-01SR-01000202362SR-01000202362-1
Database identifiers
- CAS
5267-52-7- PubChem CID
- 35914
- DTXSID
DTXSID20967101- ChEMBL
CHEMBL1374085- Nikkaji
- J2.809.060I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 316
Experimental & physicochemical properties
Solubility35.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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