(3R)-3-[[6-(4-Methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane
C19H22N2O
669770-29-0 Copyright (C) 2025 ACS
 22 25  0  0  1  0  0  0  0  0999 V2000
    4.1532    5.1382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9334    5.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831    3.8045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2792    2.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0171    2.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9296    1.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6026    1.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6932    5.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4632    3.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4632    6.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0032    3.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0032    6.4718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7733    5.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3133    5.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0833    3.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0833    6.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6233    3.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6233    6.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3934    5.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  1  0  0  0
  1 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <cas.rn>
669770-29-0

> <ca.index.name>
1-Azabicyclo[2.2.2]octane, 3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-, (3R)-

> <molecular.formula>
C19H22N2O

> <smiles.canonical>
N=1C=C(OC2CN3CCC2CC3)C=CC1C=4C=CC(=CC4)C

> <smiles.isomeric>
O([C@@H]1C2CCN(C1)CC2)C=3C=CC(=NC3)C4=CC=C(C)C=C4

> <molecular.weight>
294.39

> <boiling.point.predicted>
443.799±45.00 °C    Press: 760.00 Torr

> <density.predicted>
1.181±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.071±0.10    Most Basic Temp: 25 °C

$$$$
