-ISIS-  08091621332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.1250   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292    1.3250    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.3792   -0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1917   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3417   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9042    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0167    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  1  1  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16  6  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 16 19  2  0  0  0  0
  7  2  2  0  0  0  0
M  END
>  <ID> (BBL000316)
BBL000316

>  <Rotatable_Bonds> (BBL000316)
3

>  <logP> (BBL000316)
3.184

>  <PSA> (BBL000316)
24.5

>  <H_Donors> (BBL000316)
1

>  <H_Acceptors> (BBL000316)
1

>  <Number_of_rings> (BBL000316)
2

>  <NAME> (BBL000316)
N'-(2-methoxybenzyl)-N,N-dimethylbenzene-1,4-diamine

>  <Mol_Weight> (BBL000316)
256.35

>  <Mol_Formula> (BBL000316)
C16H20N2O

>  <Smiles> (BBL000316)
COc1ccccc1CNc1ccc(cc1)N(C)C

>  <CAS_Number> (BBL000316)
436088-37-8

>  <Alternative_identifier> (BBL000316)
MFCD03044444

$$$$