-ISIS-  08091621332D

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   -2.6667   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8042    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8042   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9417   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6292    1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4417    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1083   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1125    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7 14  1  0  0  0  0
  8  6  2  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 17 18  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <ID> (BBL000662)
BBL000662

>  <Rotatable_Bonds> (BBL000662)
5

>  <logP> (BBL000662)
1.511

>  <PSA> (BBL000662)
24.5

>  <H_Donors> (BBL000662)
1

>  <H_Acceptors> (BBL000662)
1

>  <Number_of_rings> (BBL000662)
2

>  <NAME> (BBL000662)
3-methoxy-N-[4-(pyrrolidin-1-yl)benzyl]propan-1-amine

>  <Mol_Weight> (BBL000662)
248.37

>  <Mol_Formula> (BBL000662)
C15H24N2O

>  <Smiles> (BBL000662)
COCCCNCc1ccc(cc1)N1CCCC1

>  <Alternative_identifier> (BBL000662)
MFCD08741862

$$$$