-ISIS-  08091621332D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.8708    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
  8 10  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 14  2  0  0  0  0
 14  6  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
>  <ID> (BBL000621)
BBL000621

>  <Rotatable_Bonds> (BBL000621)
6

>  <logP> (BBL000621)
2.807

>  <PSA> (BBL000621)
35.25

>  <H_Donors> (BBL000621)
2

>  <H_Acceptors> (BBL000621)
1

>  <Number_of_rings> (BBL000621)
1

>  <NAME> (BBL000621)
3-(2-propoxyphenyl)propan-1-amine

>  <Mol_Weight> (BBL000621)
193.29

>  <Mol_Formula> (BBL000621)
C12H19NO

>  <Smiles> (BBL000621)
NCCCc1ccccc1OCCC

>  <Alternative_identifier> (BBL000621)
MFCD09034633

$$$$