6-Azabicyclo(3.2.1)octane, 1-(m-methoxyphenyl)-6-methyl-, hydrobromide

HCID 41796

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Basic information

CAS: 56231-64-2
Standard SMILES: COc1cccc(C23CCCC(C2)[NH+](C)C3)c1.[Br-]
InChIKey: CKRAGBVGBDVJRJ-UHFFFAOYSA-N
Molecular formula: C15H22BrNO
Average molar mass: 312.24 g/mol
Monoisotopic mass: 311.08848

Names & identifiers

Preferred name: 6-Azabicyclo(3.2.1)octane, 1-(m-methoxyphenyl)-6-methyl-, hydrobromide
IUPAC: 1-(3-methoxyphenyl)-6-methyl-6-azoniabicyclo[3.2.1]octane bromide

Names & synonyms

1-(m-Methoxyphenyl)-6-methyl-6-azabicyclo(3.2.1)octane hydrobromide56231-64-26-AZABICYCLO(3.2.1)OCTANE, 1-(m-METHOXYPHENYL)-6-METHYL-, HYDROBROMIDERefChem:307182

Database identifiers

CAS: 56231-64-2
PubChem CID: 41796

Properties

Computed structural properties

Topological polar surface area: 13.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 280

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