8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
Basic information
- Standard SMILES
COc1cccc(-c2cccc3c2CN(C)CC3)c1- InChIKey
CPMCGOWJYMTXDK-UHFFFAOYSA-N- Molecular formula
- C17H19NO
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.14666423
Names & identifiers
- Preferred name
- 8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
- IUPAC
- 8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
Names & synonyms
CHEMBL5543718-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolineCHEMBL1195350SCHEMBL11485919DTXSID901384620BDBM50222455
Database identifiers
- PubChem CID
- 52965
- DTXSID
DTXSID901384620- ChEMBL
CHEMBL1195350、CHEMBL554371
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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