
 CHEMBL449134

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.3368    0.9301   -0.4463 C   0  0  0  0  0
   -0.8053   -0.0332   -0.2770 C   0  0  0  0  0
    0.5673   -0.3840    0.2669 C   0  0  0  0  0
    0.8061   -0.4037    1.7574 C   0  0  0  0  0
    0.0039   -1.1736    2.6151 C   0  0  0  0  0
    0.2377   -1.2137    3.9912 C   0  0  0  0  0
    1.2873   -0.4841    4.5415 C   0  0  0  0  0
    2.1017    0.2831    3.7131 C   0  0  0  0  0
    1.8634    0.3183    2.3372 C   0  0  0  0  0
   -1.3593   -0.7512   -1.4623 C   0  0  0  0  0
   -2.1823   -1.8504   -0.9802 N   0  0  0  0  0
    0.7742    1.0534   -1.4302 H   0  0  0  0  0
    0.3051    1.8441    0.1361 H   0  0  0  0  0
   -1.5868    0.2706    0.4129 H   0  0  0  0  0
    1.1363   -1.1271   -0.2896 H   0  0  0  0  0
   -0.8213   -1.7496    2.2012 H   0  0  0  0  0
   -0.4015   -1.8160    4.6323 H   0  0  0  0  0
    1.4709   -0.5135    5.6116 H   0  0  0  0  0
    2.9246    0.8545    4.1362 H   0  0  0  0  0
    2.5127    0.9187    1.7030 H   0  0  0  0  0
   -0.5659   -1.1390   -2.1107 H   0  0  0  0  0
   -1.9739   -0.0660   -2.0554 H   0  0  0  0  0
   -1.5940   -2.5086   -0.4718 H   0  0  0  0  0
   -2.5581   -2.3597   -1.7773 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>
CHEMBL449134

>  <PubChem CID>
11400855

>  <Formula>
C10H13N

>  <Molecular Weight>
147.221000

>  <IUPAC Name>
[(1R,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-/m0/s1

>  <InChI Key>
ATTLDOZXPZCOGK-UWVGGRQHSA-N

