-ISIS-  08251613452D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.7208    2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8792   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7417   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7417   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8792   -2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4792   -3.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    4.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833    1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4 14  1  0  0  0  0
  5 18  1  0  0  0  0
  6  1  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13 17  2  0  0  0  0
 14  6  1  0  0  0  0
 15  3  2  0  0  0  0
 16  4  1  0  0  0  0
 17  6  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 15 13  1  0  0  0  0
  2  8  2  0  0  0  0
M  END
>  <ID> (STL168640)
STL168640

>  <Rotatable_Bonds> (STL168640)
5

>  <logP> (STL168640)
3.407

>  <PSA> (STL168640)
30.49

>  <H_Donors> (STL168640)
1

>  <H_Acceptors> (STL168640)
2

>  <Number_of_rings> (STL168640)
2

>  <NAME> (STL168640)
N-(3-methoxybenzyl)-2-(4-methoxyphenyl)ethanamine

>  <Mol_Weight> (STL168640)
271.36

>  <Mol_Formula> (STL168640)
C17H21NO2

>  <Smiles> (STL168640)
COc1ccc(cc1)CCNCc1cccc(c1)OC

$$$$