
 CHEMBL492926

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.2452    0.9443   -0.3433 C   0  0  0  0  0
   -0.8029   -0.1180   -0.1570 C   0  0  0  0  0
    0.6475   -0.4203    0.1722 C   0  0  0  0  0
    1.0871   -0.5758    1.6079 C   0  0  0  0  0
    2.1682    0.1596    2.1214 C   0  0  0  0  0
    2.5814   -0.0049    3.4401 C   0  0  0  0  0
    1.9450   -0.9031    4.2846 C   0  0  0  0  0
    0.8751   -1.6499    3.7992 C   0  0  0  0  0
    0.4558   -1.4859    2.4746 C   0  0  0  0  0
    3.6142    0.7147    3.9010 F   0  0  0  0  0
   -1.4598   -0.7253   -1.3530 C   0  0  0  0  0
   -2.1633   -1.9231   -0.9222 N   0  0  0  0  0
    0.5453    1.2112   -1.3501 H   0  0  0  0  0
    0.2278    1.7828    0.3439 H   0  0  0  0  0
   -1.5080    0.0437    0.6531 H   0  0  0  0  0
    1.1836   -1.0516   -0.5348 H   0  0  0  0  0
    2.6965    0.8692    1.4912 H   0  0  0  0  0
    2.2848   -1.0157    5.3086 H   0  0  0  0  0
    0.3656   -2.3586    4.4466 H   0  0  0  0  0
   -0.3831   -2.0755    2.1094 H   0  0  0  0  0
   -0.7326   -0.9811   -2.1299 H   0  0  0  0  0
   -2.1733   -0.0155   -1.7803 H   0  0  0  0  0
   -1.4852   -2.6097   -0.5931 H   0  0  0  0  0
   -2.6256   -2.3443   -1.7271 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  2 15  1  0  0  0
  3  4  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 10  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
 11 12  1  0  0  0
 11 21  1  0  0  0
 11 22  1  0  0  0
 12 23  1  0  0  0
 12 24  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL492926

>  <PubChem CID>
44572798

>  <Formula>
C10H12FN

>  <Molecular Weight>
165.211000

>  <IUPAC Name>
[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]methanamine

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C10H12FN/c11-9-3-1-2-7(4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1

>  <InChI Key>
ASHHTAGUESNAIP-PSASIEDQSA-N

