2-[(4-Methoxyphenyl)acetyl]-1,2,3,4-tetrahydroisoquinoline
Basic information
- CAS
5356-65-0- Standard SMILES
COc1ccc(CC(=O)N2CCc3ccccc3C2)cc1- InChIKey
KCKUULIJQMLXLI-UHFFFAOYSA-N- Molecular formula
- C18H19NO2
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.14157885
Names & identifiers
- Preferred name
- 2-[(4-Methoxyphenyl)acetyl]-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxyphenyl)ethanone
Names & synonyms
2-[(4-methoxyphenyl)acetyl]-1,2,3,4-tetrahydroisoquinoline1-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-(4-methoxyphenyl)ethan-1-one1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(4-methoxyphenyl)ethanone1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxyphenyl)ethanoneChemDiv3_005494Cambridge id 5356650Oprea1_122927Oprea1_161273MLS001195906CHEMBL1426229DTXSID70968325HMS1488J16
Show more names
HMS2866C05STK116424AKOS001690485IDI1_023404SMR000558693ST50690220AB00082696-01AG-690/11549973
Database identifiers
- CAS
5356-65-0- PubChem CID
- 768288
- DTXSID
DTXSID70968325- ChEMBL
CHEMBL1426229
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Experimental & physicochemical properties
Solubility39.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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