Nafenodone

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Basic information

CAS: 92615-20-8
Standard SMILES: CN(C)CCC1(c2ccccc2)CCc2ccccc2C1=O
InChIKey: IOKKIRANVRFSAH-UHFFFAOYSA-N
Molecular formula: C20H23NO
Average molar mass: 293.4 g/mol
Monoisotopic mass: 293.17796436

Overview

RN refers to (S)-isomer

Names & identifiers

Preferred name: Nafenodone
IUPAC: 2-[2-(dimethylamino)ethyl]-2-phenyl-3,4-dihydronaphthalen-1-one
English name: Nafenodone
Molecular formula: C20H23NO
Molecular weight: 293.4

Names & synonyms

Nafenodone92615-20-8Nafenodonumnafenodona0O501R1CSQ(2-(2-dimethylamino)ethyl)-2-phenyl-3,4-dihydro-1(2H)-naphthalenoneRefChem:164399Nafenodone [INN]UNII-0O501R1CSQ2-[2-(dimethylamino)ethyl]-2-phenyl-3,4-dihydronaphthalen-1-one(+-)-2-(2-(Dimethylamino)ethyl)-3,4-dihydro-2-phenyl-1(2H)-naphthalenone(+-)-2-(2-(Dimethylamino)ethyl)-3,4-dihydro-2-phenyl-1(2H)-naphthalinon

Show more names

1(2H)-Naphthalenone, 2-[2-(dimethylamino)ethyl]-3,4-dihydro-2-phenyl-( -)-2-(2-(Dimethylamino)ethyl)-3,4-dihydro-2-phenyl-1(2H)-naphthalinon( -)-2-(2-(Dimethylamino)ethyl)-3,4-dihydro-2-phenyl-1(2H)-naphthalenone

orb3174111SCHEMBL2109144CHEMBL2107645Q27237026(+/-)-2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-2-PHENYL-1(2H)-NAPHTHALENONE1(2H)-NAPHTHALENONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-2-PHENYL-1(2H)-NAPHTHALENONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-2-PHENYL-, (+/-)-

Database identifiers

CAS: 92615-20-8
PubChem CID: 174100
ChEMBL: CHEMBL2107645
UNII: 0O501R1CSQ

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 385

Physicochemical properties

Boiling point: 424.1 · 424.1±34.0 °C(Predicted)
Density: 1.073 · 1.073±0.06 g/cm3(Predicted)
pka: 9.39 · 9.39±0.28(Predicted)
FDA UNII: 0 O501R1CSQ · 0O501R1CSQ

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Compound notes

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