6-Azabicyclo(3.2.1)octane, 1-(m-hydroxyphenyl)-7-methyl-6-phenethyl-, hydrochloride

HCID 41802

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Basic information

CAS: 56232-03-2
Standard SMILES: CC1[NH+](CCc2ccccc2)C2CCCC1(c1cccc(O)c1)C2.[Cl-]
InChIKey: PHYDZJQYBIKZQI-UHFFFAOYSA-N
Molecular formula: C22H28ClNO
Average molar mass: 357.9 g/mol
Monoisotopic mass: 357.1859422

Names & identifiers

Preferred name: 6-Azabicyclo(3.2.1)octane, 1-(m-hydroxyphenyl)-7-methyl-6-phenethyl-, hydrochloride
IUPAC: 3-[7-methyl-6-(2-phenylethyl)-6-azoniabicyclo[3.2.1]octan-1-yl]phenol chloride

Names & synonyms

6-Azabicyclo(3.2.1)octane, 1-(m-hydroxyphenyl)-7-methyl-6-phenethyl-, hydrochloride1-(m-Hydroxyphenyl)-7-methyl-6-phenethyl-6-azabicyclo(3.2.1)octane hydrochloride56232-03-2RefChem:307181

Database identifiers

CAS: 56232-03-2
PubChem CID: 41802

Properties

Computed structural properties

Topological polar surface area: 24.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 0
Complexity: 418

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