-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2917    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0208    1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.7500    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  6  1  0  0  0  0
 13 12  2  0  0  0  0
  7 13  1  0  0  0  0
M  END
>  <ID> (BBL000622)
BBL000622

>  <Rotatable_Bonds> (BBL000622)
5

>  <logP> (BBL000622)
2.276

>  <PSA> (BBL000622)
35.25

>  <H_Donors> (BBL000622)
2

>  <H_Acceptors> (BBL000622)
1

>  <Number_of_rings> (BBL000622)
1

>  <NAME> (BBL000622)
3-(2-ethoxyphenyl)propan-1-amine

>  <Mol_Weight> (BBL000622)
179.26

>  <Mol_Formula> (BBL000622)
C11H17NO

>  <Smiles> (BBL000622)
NCCCc1ccccc1OCC

>  <Alternative_identifier> (BBL000622)
MFCD09034632

$$$$