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N-({3-[(2,4-dichlorophenyl)methoxy]phenyl}methyl)-1-azabicyclo[2.2.2]octan-3-amine

N-({3-[(2,4-dichlorophenyl)methoxy]phenyl}methyl)-1-azabicyclo[2.2.2]octan-3-amine

Formula: C21H24Cl2N2O

SMILES: ClC1=CC=C(COC2=CC=CC(CNC3CN4CCC3CC4)=C2)C(Cl)=C1

IUPAC: N-({3-[(2,4-dichlorophenyl)methoxy]phenyl}methyl)-1-azabicyclo[2.2.2]octan-3-amine

InChI: InChI=1/C21H24Cl2N2O/c22-18-5-4-17(20(23)11-18)14-26-19-3-1-2-15(10-19)12-24-21-13-25-8-6-16(21)7-9-25/h1-5,10-11,16,21,24H,6-9,12-14H2

Composition: C (64.45%), H (6.18%), Cl (18.12%), N (7.16%), O (4.09%)

Molar Mass: 391.34

Atom Count: 50

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 390.1265688
Formal Charge 0
FSP3 0.43
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FMXLWVYQTRYWTE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 107.96
Topological Polar Surface Area 24.5
Polarizability 42.49
Ring Count 4
Rotatable Bond Count 6

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H24Cl2N2O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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