9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)-

HCID 59654

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Basic information

CAS: 102585-82-0
Standard SMILES: Cc1ccc(OC2CC3CCCC(C2)N3Cc2ccccc2)cc1
InChIKey: MNXQDSVXDDQGHM-UHFFFAOYSA-N
Molecular formula: C22H27NO
Average molar mass: 321.5 g/mol
Monoisotopic mass: 321.20926449

Names & identifiers

Preferred name: 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)-
IUPAC: 9-benzyl-3-(4-methylphenoxy)-9-azabicyclo[3.3.1]nonane

Names & synonyms

9-Benzyl-3-p-tolyl-3-granatanol102585-82-09-Benzyl-3-(p-tolyl)-9-azabicyclo(3.3.1)nonan-3-ol9-AZABICYCLO(3.3.1)NONAN-3-OL, 9-BENZYL-3-(p-TOLYL)-RefChem:3129589-benzyl-3-(4-methylphenoxy)-9-azabicyclo[3.3.1]nonaneDTXSID60907884

Database identifiers

CAS: 102585-82-0
PubChem CID: 59654
DTXSID: DTXSID60907884

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 369

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