
 CHEMBL2022189

 37 38  0  0  0  0  0  0  0  0999 V2000
   -0.0007   -0.1688   -0.1581 C   0  0  0  0  0
   -0.3838    1.1602    0.5088 C   0  0  0  0  0
    0.2413    0.0435    1.3236 C   0  0  0  0  0
    1.7360    0.1227    1.6454 C   0  0  0  0  0
    2.2623   -1.1546    1.6556 O   0  0  0  0  0
    3.5702   -1.4698    1.8521 C   0  0  0  0  0
    4.5740   -0.4761    1.9189 C   0  0  0  0  0
    5.9070   -0.8325    2.1205 C   0  0  0  0  0
    6.2616   -2.1725    2.2682 C   0  0  0  0  0
    5.2825   -3.1657    2.2124 C   0  0  0  0  0
    3.9376   -2.8270    1.9948 C   0  0  0  0  0
    2.8942   -3.9230    1.9515 C   0  0  0  0  0
    2.1848   -3.9211    0.5867 C   0  0  0  0  0
    3.0959   -5.0737    0.9688 C   0  0  0  0  0
    2.4793   -6.3594    1.5346 C   0  0  0  0  0
    2.5487   -7.4199    0.5366 N   0  0  0  0  0
    3.2582    3.5631   -1.8598 Cl  0  0  0  0  0
   -0.9664   -0.5989   -0.4959 H   0  0  0  0  0
    0.7683    0.1164   -0.9079 H   0  0  0  0  0
   -1.4068    1.2841    0.9241 H   0  0  0  0  0
    0.3334    2.0091    0.5124 H   0  0  0  0  0
   -0.4212   -0.6298    1.9095 H   0  0  0  0  0
    1.8611    0.5811    2.6497 H   0  0  0  0  0
    2.2653    0.7499    0.8935 H   0  0  0  0  0
    4.3317    0.5721    1.8137 H   0  0  0  0  0
    6.6706   -0.0653    2.1656 H   0  0  0  0  0
    7.2971   -2.4434    2.4295 H   0  0  0  0  0
    5.5736   -4.2010    2.3366 H   0  0  0  0  0
    2.0738   -3.8957    2.7001 H   0  0  0  0  0
    2.6698   -3.4686   -0.3056 H   0  0  0  0  0
    1.1545   -4.3285    0.5095 H   0  0  0  0  0
    4.1502   -5.0874    0.6204 H   0  0  0  0  0
    1.4224   -6.2127    1.8543 H   0  0  0  0  0
    3.0682   -6.6694    2.4254 H   0  0  0  0  0
    1.9584   -7.1587   -0.2860 H   0  0  0  0  0
    2.1600   -8.2964    0.9529 H   0  0  0  0  0
    3.6810    2.3339   -2.3097 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8  9  2  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2022189

>  <PubChem CID>
70693925

>  <Formula>
C14H20ClNO

>  <Molecular Weight>
253.770000

>  <IUPAC Name>
[(1S,2S)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC1COC2=CC=CC=C2C3CC3CN.Cl

>  <Isomeric SMILES>
C1CC1COC2=CC=CC=C2[C@H]3C[C@@H]3CN.Cl

>  <InChI Std. ID>
InChI=1S/C14H19NO.ClH/c15-8-11-7-13(11)12-3-1-2-4-14(12)16-9-10-5-6-10;/h1-4,10-11,13H,5-9,15H2;1H/t11-,13+;/m1./s1

>  <InChI Key>
AVCPPDXOYGDSFJ-YLAFAASESA-N

