
 CHEMBL442657

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.2662    0.9305   -0.3860 C   0  0  0  0  0
   -0.7798   -0.1367   -0.2146 C   0  0  0  0  0
    0.6541   -0.4055    0.2054 C   0  0  0  0  0
    1.0070   -0.5089    1.6701 C   0  0  0  0  0
    0.3128   -1.3773    2.5283 C   0  0  0  0  0
    0.6524   -1.4955    3.8788 C   0  0  0  0  0
    1.7032   -0.7464    4.3993 C   0  0  0  0  0
    2.4125    0.1177    3.5707 C   0  0  0  0  0
    2.0672    0.2307    2.2198 C   0  0  0  0  0
   -1.3607   -0.8086   -1.4152 C   0  0  0  0  0
   -2.1861   -1.9151   -0.9640 N   0  0  0  0  0
    0.6145    1.1618   -1.3857 H   0  0  0  0  0
    0.2029    1.7950    0.2664 H   0  0  0  0  0
   -1.5303    0.0571    0.5459 H   0  0  0  0  0
    1.2399   -1.0536   -0.4440 H   0  0  0  0  0
   -0.5116   -1.9704    2.1360 H   0  0  0  0  0
    0.0949   -2.1725    4.5192 H   0  0  0  0  0
    1.9690   -0.8367    5.4485 H   0  0  0  0  0
    3.2350    0.7036    3.9705 H   0  0  0  0  0
    2.6350    0.9070    1.5846 H   0  0  0  0  0
   -0.5812   -1.1784   -2.0900 H   0  0  0  0  0
   -1.9776   -0.0963   -1.9731 H   0  0  0  0  0
   -1.5991   -2.6025   -0.4935 H   0  0  0  0  0
   -2.5853   -2.3867   -1.7726 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>
CHEMBL442657

>  <PubChem CID>
12370466

>  <Formula>
C10H13N

>  <Molecular Weight>
147.221000

>  <IUPAC Name>
[(1S,2R)-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-ZJUUUORDSA-N

