-ISIS-  08091621332D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.1708   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917    2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8 12  1  0  0  0  0
  9  2  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
  4  6  2  0  0  0  0
M  END
>  <ID> (BBL000488)
BBL000488

>  <Rotatable_Bonds> (BBL000488)
8

>  <logP> (BBL000488)
1.051

>  <PSA> (BBL000488)
39.72

>  <H_Donors> (BBL000488)
1

>  <H_Acceptors> (BBL000488)
3

>  <Number_of_rings> (BBL000488)
1

>  <NAME> (BBL000488)
N-(3,4-dimethoxybenzyl)-3-methoxypropan-1-amine

>  <Mol_Weight> (BBL000488)
239.31

>  <Mol_Formula> (BBL000488)
C13H21NO3

>  <Smiles> (BBL000488)
COCCCNCc1ccc(c(c1)OC)OC

>  <Alternative_identifier> (BBL000488)
MFCD08741863

$$$$