-ISIS-  08091621332D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7292   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8792    2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <ID> (BBL000632)
BBL000632

>  <Rotatable_Bonds> (BBL000632)
1

>  <logP> (BBL000632)
2.357

>  <PSA> (BBL000632)
26.02

>  <H_Donors> (BBL000632)
2

>  <H_Acceptors> (BBL000632)
0

>  <Number_of_rings> (BBL000632)
1

>  <NAME> (BBL000632)
1-(2,5-dimethylphenyl)ethanamine

>  <Mol_Weight> (BBL000632)
149.24

>  <Mol_Formula> (BBL000632)
C10H15N

>  <Smiles> (BBL000632)
Cc1ccc(c(c1)C(N)C)C

>  <CAS_Number> (BBL000632)
91251-26-2

>  <Alternative_identifier> (BBL000632)
MFCD02177223

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