Basic information
- Standard SMILES
C[C@@H](N[C@H]1CC2=CNC=C3C=COCC1=C32)c1ccccc1- InChIKey
YZTSGDLKRPKNGY-ACJLOTCBSA-N- Molecular formula
- C19H20N2O
- Average molar mass
- 292.4 g/mol
Names & identifiers
- Preferred name
- ((R)-1-Phenylethyl)-(S)-2,7,8,9-tetrahydro-6-oxa-2-azabenzo[cd]azulen-8-ylamine
- IUPAC
- (2S)-N-[(1R)-1-phenylethyl]-11-oxa-6-azatricyclo[6.4.1.04,13]trideca-1(13),4,7,9-tetraen-2-amine
Names & synonyms
SCHEMBL6312209YZTSGDLKRPKNGY-ACJLOTCBSA-N((R)-1-Phenylethyl)-(S)-2,7,8,9-tetrahydro-6-oxa-2-azabenzo[cd]azulen-8-ylamine
Database identifiers
- PubChem CID
- 69738166
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 33.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 564
Related reactions
1 records
Compound notes
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