
 CHEMBL423527

 40 41  0  0  0  0  0  0  0  0999 V2000
    3.6969   -1.2168    0.3261 C   0  0  0  0  0
    3.4982   -0.5508   -1.0327 C   0  0  0  0  0
    4.4077    0.5849   -1.2945 N   0  0  0  0  0
    4.2607    1.0541   -2.6885 C   0  0  0  0  0
    4.7366    0.0388   -3.7268 C   0  0  0  0  0
    4.1771    1.6754   -0.3210 C   0  0  0  0  0
    5.0795    2.8522   -0.5597 C   0  0  0  0  0
    4.5171    4.0828   -1.2208 C   0  0  0  0  0
    4.9427    4.1469    0.2297 C   0  0  0  0  0
    6.2094    4.8869    0.6448 C   0  0  0  0  0
    6.7237    5.9465   -0.1290 C   0  0  0  0  0
    7.8991    6.6135    0.2184 C   0  0  0  0  0
    8.5833    6.2470    1.3688 C   0  0  0  0  0
    8.0873    5.2235    2.1752 C   0  0  0  0  0
    6.9086    4.5469    1.8268 C   0  0  0  0  0
    6.3473    3.5373    2.5720 O   0  0  0  0  0
    6.9787    3.2103    3.8048 C   0  0  0  0  0
    3.1016   -2.1341    0.3765 H   0  0  0  0  0
    3.3718   -0.5746    1.1489 H   0  0  0  0  0
    4.7445   -1.4891    0.4817 H   0  0  0  0  0
    2.4495   -0.2405   -1.1369 H   0  0  0  0  0
    3.6694   -1.3390   -1.7740 H   0  0  0  0  0
    4.8850    1.9371   -2.8564 H   0  0  0  0  0
    3.2257    1.3492   -2.8997 H   0  0  0  0  0
    5.7291   -0.3484   -3.4750 H   0  0  0  0  0
    4.8077    0.5198   -4.7093 H   0  0  0  0  0
    4.0457   -0.8020   -3.8271 H   0  0  0  0  0
    4.4050    1.3186    0.6895 H   0  0  0  0  0
    3.1238    1.9854   -0.3292 H   0  0  0  0  0
    6.0937    2.5412   -0.7931 H   0  0  0  0  0
    3.4533    4.1279   -1.4252 H   0  0  0  0  0
    5.1214    4.5266   -2.0004 H   0  0  0  0  0
    4.1361    4.1860    0.9589 H   0  0  0  0  0
    6.2029    6.2609   -1.0307 H   0  0  0  0  0
    8.2759    7.4142   -0.4120 H   0  0  0  0  0
    9.5011    6.7604    1.6427 H   0  0  0  0  0
    8.6478    4.9728    3.0702 H   0  0  0  0  0
    6.9926    4.0704    4.4830 H   0  0  0  0  0
    7.9871    2.8189    3.6388 H   0  0  0  0  0
    6.3908    2.4221    4.2828 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5 25  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  9  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL423527

>  <PubChem CID>
44355180

>  <Formula>
C15H23NO

>  <Molecular Weight>
233.355000

>  <IUPAC Name>
N-ethyl-N-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN(CC)CC1CC1C2=CC=CC=C2OC

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

>  <InChI Std. ID>
InChI=1S/C15H23NO/c1-4-16(5-2)11-12-10-14(12)13-8-6-7-9-15(13)17-3/h6-9,12,14H,4-5,10-11H2,1-3H3/t12-,14+/m1/s1

>  <InChI Key>
ZBTKOZJTWIZSRF-OCCSQVGLSA-N

