-ISIS-  08091621332D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1542   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8 11  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
  2  6  2  0  0  0  0
M  END
>  <ID> (BBL000612)
BBL000612

>  <Rotatable_Bonds> (BBL000612)
2

>  <logP> (BBL000612)
2.289

>  <PSA> (BBL000612)
26.02

>  <H_Donors> (BBL000612)
2

>  <H_Acceptors> (BBL000612)
0

>  <Number_of_rings> (BBL000612)
1

>  <NAME> (BBL000612)
3-(4-methylphenyl)propan-1-amine

>  <Mol_Weight> (BBL000612)
149.24

>  <Mol_Formula> (BBL000612)
C10H15N

>  <Smiles> (BBL000612)
NCCCc1ccc(cc1)C

>  <CAS_Number> (BBL000612)
54930-39-1

>  <Alternative_identifier> (BBL000612)
MFCD07374075

$$$$