Basic information
- Standard SMILES
CCOc1cccc2c1O[C@@H](CN[C@H]1CC[C@@H](c3c[nH]c4ccc(F)cc34)C1)CO2- InChIKey
WVWGVNWJTKJLPF-NJAFHUGGSA-N- Molecular formula
- C24H27FN2O3
- Average molar mass
- 410.5 g/mol
Names & identifiers
- Preferred name
- N-{[(2S)-8-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl)-N-[(cis)-3-(5-fluoro-1H-indol-3-yl)cyclopentyl]amine
- IUPAC
- cis-(1S,3R)-N-[[(3S)-5-ethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(5-fluoro-1H-indol-3-yl)cyclopentan-1-amine
Names & synonyms
N-{[(2S)-8-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl)-N-[(cis)-3-(5-fluoro-1H-indol-3-yl)cyclopentyl]amineN-{[(2S)-8-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl}-N-[(cis)-3-(5-fluoro-1H-indol-3-yl)cyclopentyl]amineSCHEMBL3896855WVWGVNWJTKJLPF-NJAFHUGGSA-N
Database identifiers
- PubChem CID
- 68830010
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 567
Related reactions
1 records
Compound notes
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