1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-methoxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-

HCID 3045765

Notes Reactions

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Basic information

CAS: 61098-73-5
Standard SMILES: COc1cccc(C23CCCC(C2)N(CCCC(=O)c2ccc(F)cc2)C3)c1.Cl
InChIKey: MQCHJYFPSMMCDA-UHFFFAOYSA-N
Molecular formula: C24H29ClFNO2
Average molar mass: 417.9 g/mol
Monoisotopic mass: 417.187085

Names & identifiers

Preferred name: 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-methoxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-
IUPAC: 1-(4-fluorophenyl)-4-[1-(3-methoxyphenyl)-6-azabicyclo[3.2.1]octan-6-yl]butan-1-one;hydrochloride

Names & synonyms

61098-73-51-Butanone, 1-(4-fluorophenyl)-4-(1-(3-methoxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-RefChem:228853CHEMBL3251457SCHEMBL11858430DTXSID20976612MQCHJYFPSMMCDA-UHFFFAOYSA-N1-(3-methoxyphenyl)-6-[3-(4-fluorobenzoyl)propyl]-6-azabicyclo[3,2,1]octane hydrochloride1-(4-Fluorophenyl)-4-[1-(3-methoxyphenyl)-6-azabicyclo[3.2.1]octan-6-yl]butan-1-one--hydrogen chloride (1/1)

Database identifiers

CAS: 61098-73-5
PubChem CID: 3045765
DTXSID: DTXSID20976612
ChEMBL: CHEMBL3251457

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 533

Related reactions

1 records

New reaction record

HRID 1580141As productuspto-grants-1976_01

Compound notes

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