-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.3958    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.5708    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7708    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7708   -0.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13  3  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <ID> (BBL000124)
BBL000124

>  <SALTDATA> (BBL000124)
HCl

>  <Rotatable_Bonds> (BBL000124)
3

>  <logP> (BBL000124)
1.799

>  <PSA> (BBL000124)
12.03

>  <H_Donors> (BBL000124)
1

>  <H_Acceptors> (BBL000124)
0

>  <Number_of_rings> (BBL000124)
1

>  <NAME> (BBL000124)
(2E)-N-ethyl-3-phenylprop-2-en-1-amine

>  <Mol_Weight> (BBL000124)
161.25

>  <Mol_Formula> (BBL000124)
C11H15N

>  <Smiles> (BBL000124)
CCNC/C=C/c1ccccc1

>  <CAS_Number> (BBL000124)
188049-29-8

>  <Alternative_identifier> (BBL000124)
MFCD07405015

$$$$