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Basic information
- Standard SMILES
COC(=O)C1=Cc2cc(Br)ccc2N(CC(C)C)CCCC1- InChIKey
MHNQUSKQGSSAOQ-UHFFFAOYSA-N- Molecular formula
- C18H24BrNO2
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 365.09904
Names & identifiers
- Preferred name
- methyl 9-bromo-1-isobutyl-2,3,4,5-tetrahydro-1H-1-benzoazonin-6-carboxylate
- IUPAC
- methyl 9-bromo-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate
Names & synonyms
SCHEMBL3459972MHNQUSKQGSSAOQ-UHFFFAOYSA-Nmethyl 9-bromo-1-isobutyl-2,3,4,5-tetrahydro-1H-1-benzoazonin-6-carboxylate
Database identifiers
- PubChem CID
- 68650366
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 408
Related reactions
9 records
Compound notes
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