6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-methoxyphenyl)-, hydrobromide

HCID 41794

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Basic information

CAS: 56231-55-1
Standard SMILES: COc1cccc(C23CCCC(C2)[NH+](C)C3C)c1.[Br-]
InChIKey: CGXKFWKNWWNYPV-UHFFFAOYSA-N
Molecular formula: C16H24BrNO
Average molar mass: 326.27 g/mol
Monoisotopic mass: 325.10413

Names & identifiers

Preferred name: 6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-methoxyphenyl)-, hydrobromide
IUPAC: 1-(3-methoxyphenyl)-6,7-dimethyl-6-azoniabicyclo[3.2.1]octane bromide

Names & synonyms

6-AZABICYCLO(3.2.1)OCTANE, 6,7-DIMETHYL-1-(m-METHOXYPHENYL)-, HYDROBROMIDE56231-55-16,7-Dimethyl-1-(m-methoxyphenyl)-6-azabicyclo(3.2.1)octane hydrobromide6-Azabicyclo(3.2.1)octane, 1-(3-methoxyphenyl)-6,7-dimethyl-, hydrobromideRefChem:307190

Database identifiers

CAS: 56231-55-1
PubChem CID: 41794

Properties

Computed structural properties

Topological polar surface area: 13.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 305

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