
 AMPHETAMINE

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.6173    0.2683    0.6976 C   0  0  0  0  0
    2.1210    0.0322    0.5556 C   0  0  0  0  0
    2.4463   -1.1535   -0.3791 C   0  0  0  0  0
    1.9213   -2.4898    0.0933 C   0  0  0  0  0
    1.0038   -3.2052   -0.6900 C   0  0  0  0  0
    0.5172   -4.4414   -0.2616 C   0  0  0  0  0
    0.9436   -4.9769    0.9519 C   0  0  0  0  0
    1.8609   -4.2787    1.7355 C   0  0  0  0  0
    2.3510   -3.0442    1.3065 C   0  0  0  0  0
    2.7363    1.2686    0.0495 N   0  0  0  0  0
    0.4163    1.1450    1.3250 H   0  0  0  0  0
    0.1262   -0.5869    1.1744 H   0  0  0  0  0
    0.1410    0.4335   -0.2757 H   0  0  0  0  0
    2.5359   -0.1550    1.5524 H   0  0  0  0  0
    3.5351   -1.2485   -0.4913 H   0  0  0  0  0
    2.0608   -0.9403   -1.3854 H   0  0  0  0  0
    0.6589   -2.8041   -1.6402 H   0  0  0  0  0
   -0.1945   -4.9871   -0.8757 H   0  0  0  0  0
    0.5635   -5.9382    1.2860 H   0  0  0  0  0
    2.1957   -4.6970    2.6811 H   0  0  0  0  0
    3.0720   -2.5187    1.9290 H   0  0  0  0  0
    2.3524    1.4941   -0.8680 H   0  0  0  0  0
    3.7360    1.1233   -0.0880 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  3 16  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 17  1  0  0  0
  6  7  2  0  0  0
  6 18  1  0  0  0
  7  8  1  0  0  0
  7 19  1  0  0  0
  8  9  2  0  0  0
  8 20  1  0  0  0
  9 21  1  0  0  0
 10 22  1  0  0  0
 10 23  1  0  0  0
M  END

>  <Chemical Name>
AMPHETAMINE

>  <PubChem CID>
3007

>  <Formula>
C9H13N

>  <Molecular Weight>
135.210000

>  <IUPAC Name>
1-phenylpropan-2-amine

>  <XlogP>
1.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(CC1=CC=CC=C1)N

>  <Isomeric SMILES>
CC(CC1=CC=CC=C1)N

>  <InChI Std. ID>
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3

>  <InChI Key>
KWTSXDURSIMDCE-UHFFFAOYSA-N

