-ISIS-  08091621332D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.4250   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.5042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2917   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <ID> (BBL000630)
BBL000630

>  <Rotatable_Bonds> (BBL000630)
1

>  <logP> (BBL000630)
2.357

>  <PSA> (BBL000630)
26.02

>  <H_Donors> (BBL000630)
2

>  <H_Acceptors> (BBL000630)
0

>  <Number_of_rings> (BBL000630)
1

>  <NAME> (BBL000630)
1-(2,4-dimethylphenyl)ethanamine

>  <Mol_Weight> (BBL000630)
149.24

>  <Mol_Formula> (BBL000630)
C10H15N

>  <Smiles> (BBL000630)
Cc1ccc(c(c1)C)C(N)C

>  <CAS_Number> (BBL000630)
102877-07-6

>  <Alternative_identifier> (BBL000630)
MFCD01313694

$$$$