
 CHEMBL132580

 43 44  0  0  0  0  0  0  0  0999 V2000
    5.0047   -0.7971   -3.2928 C   0  0  0  0  0
    4.6862    0.4977   -2.5567 C   0  0  0  0  0
    4.6795    0.2717   -1.0401 C   0  0  0  0  0
    4.3354    1.4795   -0.2735 N   0  0  0  0  0
    4.0513    1.1601    1.1387 C   0  0  0  0  0
    5.2131    0.5420    1.9278 C   0  0  0  0  0
    4.8355    0.3284    3.3859 C   0  0  0  0  0
    5.3233    2.5747   -0.4390 C   0  0  0  0  0
    4.9396    3.7443   -1.3011 C   0  0  0  0  0
    5.1060    3.9433    0.1858 C   0  0  0  0  0
    6.2637    4.7949    0.6845 C   0  0  0  0  0
    7.4464    4.2152    1.1842 C   0  0  0  0  0
    8.5126    4.9930    1.6380 C   0  0  0  0  0
    8.4126    6.3788    1.6249 C   0  0  0  0  0
    7.2492    6.9859    1.1552 C   0  0  0  0  0
    6.1861    6.2073    0.6799 C   0  0  0  0  0
    4.9990    6.7325    0.2248 O   0  0  0  0  0
    5.0312    8.0823   -0.2213 C   0  0  0  0  0
    5.0294   -0.6242   -4.3735 H   0  0  0  0  0
    4.2491   -1.5609   -3.0871 H   0  0  0  0  0
    5.9800   -1.1892   -2.9896 H   0  0  0  0  0
    3.7104    0.8734   -2.8876 H   0  0  0  0  0
    5.4377    1.2463   -2.8326 H   0  0  0  0  0
    5.6601   -0.1141   -0.7356 H   0  0  0  0  0
    3.9414   -0.5113   -0.8243 H   0  0  0  0  0
    3.1922    0.4769    1.1720 H   0  0  0  0  0
    3.7047    2.0648    1.6527 H   0  0  0  0  0
    6.0955    1.1885    1.8830 H   0  0  0  0  0
    5.4943   -0.4263    1.5006 H   0  0  0  0  0
    4.6017    1.2799    3.8740 H   0  0  0  0  0
    5.6662   -0.1359    3.9272 H   0  0  0  0  0
    3.9637   -0.3279    3.4739 H   0  0  0  0  0
    6.3528    2.2357   -0.5374 H   0  0  0  0  0
    3.9306    3.7878   -1.6950 H   0  0  0  0  0
    5.6897    4.1527   -1.9658 H   0  0  0  0  0
    4.1783    4.0910    0.7352 H   0  0  0  0  0
    7.5440    3.1338    1.2229 H   0  0  0  0  0
    9.4148    4.5135    2.0089 H   0  0  0  0  0
    9.2350    6.9866    1.9904 H   0  0  0  0  0
    7.1925    8.0684    1.1873 H   0  0  0  0  0
    5.8242    8.2381   -0.9596 H   0  0  0  0  0
    5.1325    8.7736    0.6203 H   0  0  0  0  0
    4.0751    8.2939   -0.7087 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
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 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
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 17 18  1  0  0  0
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 18 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL132580

>  <PubChem CID>
44355203

>  <Formula>
C16H25NO

>  <Molecular Weight>
247.382000

>  <IUPAC Name>
(1R,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-HUUCEWRRSA-N

