9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-phenyl-

HCID 57191

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Basic information

CAS: 97254-65-4
Standard SMILES: c1ccc(CN2C3CCCC2CC(Oc2ccccc2)C3)cc1
InChIKey: XVEMGBKFDBUOBS-UHFFFAOYSA-N
Molecular formula: C21H25NO
Average molar mass: 307.4 g/mol
Monoisotopic mass: 307.19361442

Names & identifiers

Preferred name: 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-phenyl-
IUPAC: 9-benzyl-3-phenoxy-9-azabicyclo[3.3.1]nonane

Names & synonyms

9-Benzyl-3-phenyl-3-granatanolBRN 154583997254-65-49-Benzyl-3-phenyl-9-azabicyclo(3.3.1)nonan-3-ol9-AZABICYCLO(3.3.1)NONAN-3-OL, 9-BENZYL-3-PHENYL-RefChem:3129599-benzyl-3-phenoxy-9-azabicyclo[3.3.1]nonane7-(Phenoxy)-9-(phenylmethyl)-9-azabicyclo[3.3.1]nonaneDTXSID90914041BRN 1545839, 9-Benzyl-3-phenyl-3-granatanol, 9-benzyl-3-phenoxy-9-azabicyclo[3.3.1]nonane, 9-Benzyl-3-phenyl-9-azabicyclo(3.3.1)nonan-3-ol, 9-AZABICYCLO(3.3.1)NONAN-3-OL, 9-BENZYL-3-PHENYL-, 97254-65-4, AC1L1MI7, LS-22454

Database identifiers

CAS: 97254-65-4
PubChem CID: 57191
DTXSID: DTXSID90914041

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 345

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