8-(2-Phenylethyl)-8-azabicyclo[3.2.1]octan-3-one

HCID 13428506

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Basic information

CAS: 83507-66-8
Standard SMILES: O=C1CC2CCC(C1)N2CCc1ccccc1
InChIKey: YLEOMBARMPNDLK-UHFFFAOYSA-N
Molecular formula: C15H19NO
Average molar mass: 229.32 g/mol
Monoisotopic mass: 229.14666423

Names & identifiers

Preferred name: 8-(2-Phenylethyl)-8-azabicyclo[3.2.1]octan-3-one
IUPAC: 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one

Names & synonyms

83507-66-88-(2-Phenylethyl)-8-azabicyclo[3.2.1]octan-3-one8-Azabicyclo[3.2.1]octan-3-one, 8-(2-phenylethyl)-(1R,5S)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-oneSCHEMBL6312115CHEMBL4453688DTXSID80540530YLEOMBARMPNDLK-UHFFFAOYSA-NAKOS0061184878-phenethyl-8-azabicyclo[3.2.1]octan-3-one

Database identifiers

CAS: 83507-66-8
PubChem CID: 13428506
DTXSID: DTXSID80540530
ChEMBL: CHEMBL4453688
Nikkaji: J2.476.327G

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 267

Related reactions

1 records

New reaction record

HRID 1267506As reactantuspto-grants-2003_04

Compound notes

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