
 CHEMBL334553

 43 44  0  0  0  0  0  0  0  0999 V2000
    1.5701   -0.3587   -0.2633 C   0  0  0  0  0
    2.1746    0.9894   -0.6366 C   0  0  0  0  0
    3.5336    1.1895    0.0456 C   0  0  0  0  0
    4.1741    2.4970   -0.1996 N   0  0  0  0  0
    3.3428    3.6548    0.1736 C   0  0  0  0  0
    2.8902    3.7034    1.6388 C   0  0  0  0  0
    2.1318    4.9882    1.9355 C   0  0  0  0  0
    5.5097    2.5395    0.4428 C   0  0  0  0  0
    6.7338    2.3146   -0.3943 C   0  0  0  0  0
    6.4837    3.6807    0.1895 C   0  0  0  0  0
    7.2100    4.2203    1.4060 C   0  0  0  0  0
    6.5757    5.1707    2.2347 C   0  0  0  0  0
    7.1835    5.6609    3.3929 C   0  0  0  0  0
    8.4530    5.2024    3.7395 C   0  0  0  0  0
    9.1128    4.2789    2.9320 C   0  0  0  0  0
    8.4981    3.8021    1.7737 C   0  0  0  0  0
    6.6460    6.5711    4.2626 O   0  0  0  0  0
    5.3712    7.1057    3.9296 C   0  0  0  0  0
    0.5904   -0.4780   -0.7357 H   0  0  0  0  0
    1.4326   -0.4360    0.8204 H   0  0  0  0  0
    2.2106   -1.1826   -0.5884 H   0  0  0  0  0
    1.4624    1.7651   -0.3359 H   0  0  0  0  0
    2.2888    1.0510   -1.7247 H   0  0  0  0  0
    4.2073    0.4056   -0.3254 H   0  0  0  0  0
    3.4289    1.0134    1.1243 H   0  0  0  0  0
    2.4659    3.6968   -0.4826 H   0  0  0  0  0
    3.8914    4.5752   -0.0611 H   0  0  0  0  0
    3.7526    3.6415    2.3125 H   0  0  0  0  0
    2.2379    2.8532    1.8686 H   0  0  0  0  0
    2.7747    5.8623    1.7946 H   0  0  0  0  0
    1.7805    4.9888    2.9720 H   0  0  0  0  0
    1.2615    5.0901    1.2801 H   0  0  0  0  0
    5.5382    2.1097    1.4456 H   0  0  0  0  0
    6.6067    2.2033   -1.4657 H   0  0  0  0  0
    7.5102    1.6831    0.0163 H   0  0  0  0  0
    6.1972    4.4340   -0.5416 H   0  0  0  0  0
    5.5836    5.5027    1.9449 H   0  0  0  0  0
    8.9312    5.5697    4.6439 H   0  0  0  0  0
   10.1028    3.9283    3.2072 H   0  0  0  0  0
    9.0315    3.0816    1.1578 H   0  0  0  0  0
    5.0990    7.8271    4.7061 H   0  0  0  0  0
    4.6056    6.3233    3.9197 H   0  0  0  0  0
    5.4038    7.6411    2.9751 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 17  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 40  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>
CHEMBL334553

>  <PubChem CID>
44355201

>  <Formula>
C16H25NO

>  <Molecular Weight>
247.382000

>  <IUPAC Name>
(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CC1C2=CC(=CC=C2)OC

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

>  <InChI Std. ID>
InChI=1S/C16H25NO/c1-4-9-17(10-5-2)16-12-15(16)13-7-6-8-14(11-13)18-3/h6-8,11,15-16H,4-5,9-10,12H2,1-3H3/t15-,16-/m1/s1

>  <InChI Key>
CDBKSCIFVPNNTJ-HZPDHXFCSA-N

