
 CHEMBL452719

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.0318    0.8680   -0.1325 C   0  0  0  0  0
   -0.8155   -0.4098   -0.0122 C   0  0  0  0  0
    0.7004   -0.4415    0.0602 C   0  0  0  0  0
    1.3950   -0.7256    1.3704 C   0  0  0  0  0
    1.0772   -1.8588    2.1376 C   0  0  0  0  0
    1.7384   -2.1345    3.3376 C   0  0  0  0  0
    2.7384   -1.2813    3.7946 C   0  0  0  0  0
    3.0767   -0.1542    3.0505 C   0  0  0  0  0
    2.4121    0.1151    1.8512 C   0  0  0  0  0
   -1.5328   -0.9597   -1.2006 C   0  0  0  0  0
   -1.8801   -2.3420   -0.9188 N   0  0  0  0  0
    0.0394    1.3477   -1.1019 H   0  0  0  0  0
   -0.0879    1.5647    0.6973 H   0  0  0  0  0
   -1.3915   -0.5327    0.9004 H   0  0  0  0  0
    1.2198   -0.8242   -0.8164 H   0  0  0  0  0
    0.2981   -2.5360    1.7949 H   0  0  0  0  0
    1.4696   -3.0164    3.9131 H   0  0  0  0  0
    3.2535   -1.4940    4.7271 H   0  0  0  0  0
    3.8578    0.5154    3.4002 H   0  0  0  0  0
    2.6921    0.9976    1.2791 H   0  0  0  0  0
   -0.9172   -0.9083   -2.1048 H   0  0  0  0  0
   -2.4437   -0.3807   -1.3802 H   0  0  0  0  0
   -1.0264   -2.8840   -0.7992 H   0  0  0  0  0
   -2.3577   -2.7369   -1.7266 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  2 14  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 16  1  0  0  0
  6  7  2  0  0  0
  6 17  1  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  8  9  2  0  0  0
  8 19  1  0  0  0
  9 20  1  0  0  0
 10 11  1  0  0  0
 10 21  1  0  0  0
 10 22  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL452719

>  <PubChem CID>
44572657

>  <Formula>
C10H13N

>  <Molecular Weight>
147.221000

>  <IUPAC Name>
[(1S,2S)-2-phenylcyclopropyl]methanamine

>  <XlogP>
1.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1C(C1C2=CC=CC=C2)CN

>  <Isomeric SMILES>
C1[C@@H]([C@H]1C2=CC=CC=C2)CN

>  <InChI Std. ID>
InChI=1S/C10H13N/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2/t9-,10-/m1/s1

>  <InChI Key>
ATTLDOZXPZCOGK-NXEZZACHSA-N

