
 CHEMBL34652

 43 44  0  0  0  0  0  0  0  0999 V2000
    1.0058    3.9208   -2.1457 C   0  0  0  0  0
    2.4245    4.3916   -1.8547 C   0  0  0  0  0
    2.8329    4.0323   -0.4222 C   0  0  0  0  0
    4.1949    4.4821   -0.0869 N   0  0  0  0  0
    4.4200    4.4688    1.3719 C   0  0  0  0  0
    4.2257    3.1181    2.0707 C   0  0  0  0  0
    4.6681    3.1758    3.5250 C   0  0  0  0  0
    5.2432    3.7499   -0.8498 C   0  0  0  0  0
    5.9614    4.4976   -1.9393 C   0  0  0  0  0
    6.7159    4.0886   -0.6976 C   0  0  0  0  0
    7.8355    3.0628   -0.8314 C   0  0  0  0  0
    9.0604    3.4885   -1.3881 C   0  0  0  0  0
   10.1579    2.6343   -1.5062 C   0  0  0  0  0
   10.0548    1.3210   -1.0710 C   0  0  0  0  0
    8.8613    0.8639   -0.5159 C   0  0  0  0  0
    7.7582    1.7212   -0.3865 C   0  0  0  0  0
    6.5674    1.3396    0.1727 O   0  0  0  0  0
    6.4230   -0.0079    0.5989 C   0  0  0  0  0
    0.7202    4.1811   -3.1697 H   0  0  0  0  0
    0.2885    4.3875   -1.4628 H   0  0  0  0  0
    0.9248    2.8343   -2.0366 H   0  0  0  0  0
    2.4822    5.4767   -2.0002 H   0  0  0  0  0
    3.1005    3.9264   -2.5804 H   0  0  0  0  0
    2.7357    2.9487   -0.2774 H   0  0  0  0  0
    2.1159    4.5133    0.2559 H   0  0  0  0  0
    3.7419    5.2014    1.8297 H   0  0  0  0  0
    5.4235    4.8526    1.5885 H   0  0  0  0  0
    4.7996    2.3399    1.5662 H   0  0  0  0  0
    3.1732    2.8156    2.0359 H   0  0  0  0  0
    5.7209    3.4656    3.6039 H   0  0  0  0  0
    4.5529    2.1937    3.9937 H   0  0  0  0  0
    4.0678    3.8966    4.0890 H   0  0  0  0  0
    4.9953    2.7156   -1.0774 H   0  0  0  0  0
    5.7420    5.5507   -2.0695 H   0  0  0  0  0
    6.1501    3.9687   -2.8657 H   0  0  0  0  0
    6.9554    4.9038   -0.0181 H   0  0  0  0  0
    9.1595    4.5194   -1.7252 H   0  0  0  0  0
   11.0889    2.9999   -1.9301 H   0  0  0  0  0
   10.9065    0.6500   -1.1567 H   0  0  0  0  0
    8.8242   -0.1675   -0.1830 H   0  0  0  0  0
    7.1186   -0.2390    1.4125 H   0  0  0  0  0
    6.5406   -0.7037   -0.2383 H   0  0  0  0  0
    5.4080   -0.1272    0.9869 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL34652

>  <PubChem CID>
13972207

>  <Formula>
C16H25NO

>  <Molecular Weight>
247.382000

>  <IUPAC Name>
(1S,2R)-2-(2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CC1C2=CC=CC=C2OC

>  <Isomeric SMILES>
CCCN(CCC)[C@H]1C[C@@H]1C2=CC=CC=C2OC

>  <InChI Std. ID>
InChI=1S/C16H25NO/c1-4-10-17(11-5-2)15-12-14(15)13-8-6-7-9-16(13)18-3/h6-9,14-15H,4-5,10-12H2,1-3H3/t14-,15+/m1/s1

>  <InChI Key>
NHIZHIQMHLZUQZ-CABCVRRESA-N

