
 CHEMBL493129

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.9660   -1.0048   -0.1011 C   0  0  0  0  0
    2.3268    0.2493    0.0997 O   0  0  0  0  0
    3.0985    1.3676   -0.0597 C   0  0  0  0  0
    2.4257    2.5738    0.1372 C   0  0  0  0  0
    3.0988    3.7858    0.0089 C   0  0  0  0  0
    4.4533    3.7948   -0.3250 C   0  0  0  0  0
    5.1582    2.6004   -0.5440 C   0  0  0  0  0
    4.4562    1.3895   -0.3916 C   0  0  0  0  0
    6.6263    2.6172   -0.9027 C   0  0  0  0  0
    7.1175    1.8635   -2.1189 C   0  0  0  0  0
    7.0849    3.3672   -2.1410 C   0  0  0  0  0
    8.3592    4.1455   -2.1341 C   0  0  0  0  0
    8.1786    5.3208   -1.2984 N   0  0  0  0  0
    2.2168   -1.7893    0.0437 H   0  0  0  0  0
    3.7614   -1.1639    0.6347 H   0  0  0  0  0
    3.3482   -1.0956   -1.1237 H   0  0  0  0  0
    1.3700    2.5664    0.3966 H   0  0  0  0  0
    2.5713    4.7217    0.1704 H   0  0  0  0  0
    4.9742    4.7458   -0.4157 H   0  0  0  0  0
    5.0091    0.4679   -0.5427 H   0  0  0  0  0
    7.3024    2.6456   -0.0499 H   0  0  0  0  0
    6.3982    1.3397   -2.7389 H   0  0  0  0  0
    8.0735    1.3593   -2.0383 H   0  0  0  0  0
    6.3316    3.8350   -2.7664 H   0  0  0  0  0
    8.6159    4.4473   -3.1560 H   0  0  0  0  0
    9.1915    3.5474   -1.7449 H   0  0  0  0  0
    7.4515    5.9105   -1.6961 H   0  0  0  0  0
    9.0331    5.8732   -1.3106 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  5  6  2  0  0  0
  5 18  1  0  0  0
  6  7  1  0  0  0
  6 19  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 20  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 10 22  1  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
 12 25  1  0  0  0
 12 26  1  0  0  0
 13 27  1  0  0  0
 13 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL493129

>  <PubChem CID>
44572806

>  <Formula>
C11H15NO

>  <Molecular Weight>
177.247000

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

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC=CC(=C1)C2CC2CN

>  <Isomeric SMILES>
COC1=CC=CC(=C1)[C@H]2C[C@@H]2CN

>  <InChI Std. ID>
InChI=1S/C11H15NO/c1-13-10-4-2-3-8(5-10)11-6-9(11)7-12/h2-5,9,11H,6-7,12H2,1H3/t9-,11-/m1/s1

>  <InChI Key>
AJKHCYJJCNCJBK-MWLCHTKSSA-N

