(3,4-Dimethoxyphenyl)-(1-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)methanone
Basic information
- CAS
5936-55-0- Standard SMILES
COc1ccc(C(=O)N2CC3(CCCC3)c3ccccc3C2C)cc1OC- InChIKey
XAKPNMNGQPAGRB-UHFFFAOYSA-N- Molecular formula
- C23H27NO3
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.19909372
Names & identifiers
- Preferred name
- (3,4-Dimethoxyphenyl)-(1-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)methanone
- IUPAC
- (3,4-dimethoxyphenyl)-(1-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)methanone
Names & synonyms
CBMicro_0379175936-55-0(3,4-dimethoxyphenyl)-(1-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)methanoneOprea1_672860DTXSID10417241BIM-0037969.P001(3,4-Dimethoxyphenyl)(1'-methyl-1'H-spiro[cyclopentane-1,4'-isoquinolin]-2'(3'H)-yl)methanone
Database identifiers
- CAS
5936-55-0- PubChem CID
- 5344985
- DTXSID
DTXSID10417241
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
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Compound notes
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