(1R,3R)-7-fluoro-N-methyl-1-phenyl-3,4-dihydro-1H-isochromen-3-amine
Basic information
- CAS
34887-52-0- Standard SMILES
CN[C@H]1Cc2ccc(F)cc2[C@@H](c2ccccc2)O1- InChIKey
HEXAHJRXDZDVLR-HZPDHXFCSA-N- Molecular formula
- C16H16FNO
- Average molar mass
- 257.3 g/mol
- Monoisotopic mass
- 257.1215923
Names & identifiers
- Preferred name
- (1R,3R)-7-fluoro-N-methyl-1-phenyl-3,4-dihydro-1H-isochromen-3-amine
- IUPAC
- (1R,3R)-7-fluoro-N-methyl-1-phenyl-3,4-dihydro-1H-isochromen-3-amine
Names & synonyms
(1R,3R)-7-fluoro-N-methyl-1-phenyl-3,4-dihydro-1H-isochromen-3-amineFenisorexum [INN-Latin]R-800UNII-C0P8MP2SR5Fenisorex [USAN:INN:BAN]SCHEMBL1218201H-2-BENZOPYRAN-3-METHANAMINE, 7-FLUORO-3,4-DIHYDRO-1-PHENYL-, cis-NS00121886Q19597238
Database identifiers
- CAS
34887-52-0- PubChem CID
- 36983
- DTXSID
DTXSID801031957
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 292
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Compound notes
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