-ISIS-  08091621332D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.1708   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292   -2.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3083   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875    3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  3  2  0  0  0  0
  7 12  1  0  0  0  0
  8  5  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <ID> (BBL000498)
BBL000498

>  <Rotatable_Bonds> (BBL000498)
5

>  <logP> (BBL000498)
1.423

>  <PSA> (BBL000498)
24.5

>  <H_Donors> (BBL000498)
1

>  <H_Acceptors> (BBL000498)
1

>  <Number_of_rings> (BBL000498)
1

>  <NAME> (BBL000498)
4-{[(3-methoxypropyl)amino]methyl}-N,N-dimethylaniline

>  <Mol_Weight> (BBL000498)
222.33

>  <Mol_Formula> (BBL000498)
C13H22N2O

>  <Smiles> (BBL000498)
COCCCNCc1ccc(cc1)N(C)C

>  <Alternative_identifier> (BBL000498)
MFCD08741861

$$$$