
 2-Phenylcyclopropanamine

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.3752    0.2446    0.0744 C   0  0  0  0  0
   -0.8934   -0.5759    0.1109 C   0  0  0  0  0
    0.4163   -1.1556    0.6028 C   0  0  0  0  0
    0.6201   -1.3834    2.0329 N   0  0  0  0  0
   -1.5066   -1.0801   -1.1752 C   0  0  0  0  0
   -1.7875   -2.4437   -1.3625 C   0  0  0  0  0
   -2.3682   -2.9134   -2.5434 C   0  0  0  0  0
   -2.6885   -2.0221   -3.5631 C   0  0  0  0  0
   -2.4314   -0.6640   -3.3993 C   0  0  0  0  0
   -1.8500   -0.2009   -2.2159 C   0  0  0  0  0
    0.8523    0.4290   -0.8823 H   0  0  0  0  0
    0.4563    1.0727    0.7676 H   0  0  0  0  0
   -1.6172   -0.3006    0.8749 H   0  0  0  0  0
    0.8999   -1.8955   -0.0335 H   0  0  0  0  0
    0.1654   -0.6663    2.5954 H   0  0  0  0  0
    1.6116   -1.3350    2.2645 H   0  0  0  0  0
   -1.5491   -3.1519   -0.5708 H   0  0  0  0  0
   -2.5714   -3.9742   -2.6622 H   0  0  0  0  0
   -3.1415   -2.3847   -4.4818 H   0  0  0  0  0
   -2.6849    0.0373   -4.1896 H   0  0  0  0  0
   -1.6621    0.8646   -2.1014 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2 13  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  7  8  2  0  0  0
  7 18  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  9 10  2  0  0  0
  9 20  1  0  0  0
 10 21  1  0  0  0
M  END

>  <Chemical Name>
2-Phenylcyclopropanamine

>  <PubChem CID>
5530

>  <Formula>
C9H11N

>  <Molecular Weight>
133.194000

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

>  <XlogP>
1.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1C(C1N)C2=CC=CC=C2

>  <Isomeric SMILES>
C1C(C1N)C2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2

>  <InChI Key>
AELCINSCMGFISI-UHFFFAOYSA-N

