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Basic information
- Standard SMILES
Fc1ccc2c(c1)CC(Cc1ccccc1)N(CCNCc1ccccc1)C2- InChIKey
FVXXDUAHEUMXRT-UHFFFAOYSA-N- Molecular formula
- C25H27FN2
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.21582703
Names & identifiers
- Preferred name
- N-benzyl-2-[3-benzyl-6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl]ethanamine
- IUPAC
- N-benzyl-2-(3-benzyl-6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
Names & synonyms
SCHEMBL3129528FVXXDUAHEUMXRT-UHFFFAOYSA-NN-benzyl-2-[3-benzyl-6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl]ethanamine
Database identifiers
- PubChem CID
- 59323301
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 444
Related reactions
2 records
Compound notes
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