-ISIS-  08091621332D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0458   -1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7458   -0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3083   -2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1833    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9333    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6333    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <ID> (BBL000293)
BBL000293

>  <SALTDATA> (BBL000293)
HCl

>  <Rotatable_Bonds> (BBL000293)
4

>  <logP> (BBL000293)
3.042

>  <PSA> (BBL000293)
12.03

>  <H_Donors> (BBL000293)
1

>  <H_Acceptors> (BBL000293)
0

>  <Number_of_rings> (BBL000293)
1

>  <NAME> (BBL000293)
N-(2-methylbenzyl)propan-1-amine

>  <Mol_Weight> (BBL000293)
163.26

>  <Mol_Formula> (BBL000293)
C11H17N

>  <Smiles> (BBL000293)
CCCNCc1ccccc1C

>  <CAS_Number> (BBL000293)
807343-02-8

>  <Alternative_identifier> (BBL000293)
MFCD07410290

$$$$