
 CHEMBL3416040

 37 38  0  0  0  0  0  0  0  0999 V2000
   -0.6681   -0.1760    1.0082 C   0  0  0  0  0
    0.0832   -0.5687   -0.2519 C   0  0  0  0  0
    0.8224    0.1173    0.8930 C   0  0  0  0  0
    1.5932   -0.7478    1.8981 C   0  0  0  0  0
    2.9199   -0.3739    1.8566 O   0  0  0  0  0
    3.9290   -0.9177    2.5895 C   0  0  0  0  0
    5.1573   -0.2256    2.6703 C   0  0  0  0  0
    6.2184   -0.7747    3.4069 C   0  0  0  0  0
    6.0638   -1.9944    4.0693 C   0  0  0  0  0
    4.8472   -2.6777    4.0002 C   0  0  0  0  0
    3.7834   -2.1465    3.2670 C   0  0  0  0  0
    7.3953   -2.6674    4.9918 Cl  0  0  0  0  0
    5.3413    1.1015    1.9701 C   0  0  0  0  0
    4.2877    2.1025    2.4978 C   0  0  0  0  0
    5.7527    2.3016    2.8147 C   0  0  0  0  0
    6.5248    3.3475    2.0038 C   0  0  0  0  0
    6.5989    4.5939    2.7567 N   0  0  0  0  0
   -0.0120    3.3617   -2.1845 Cl  0  0  0  0  0
   -1.3977    0.5896    0.6668 H   0  0  0  0  0
   -1.0318   -1.1388    1.4269 H   0  0  0  0  0
    0.1568    0.1442   -1.0999 H   0  0  0  0  0
    0.4893   -1.5983   -0.3488 H   0  0  0  0  0
    0.8892    1.2231    0.9829 H   0  0  0  0  0
    1.4840   -1.8277    1.6612 H   0  0  0  0  0
    1.2043   -0.5562    2.9229 H   0  0  0  0  0
    7.1654   -0.2506    3.4681 H   0  0  0  0  0
    4.7266   -3.6230    4.5132 H   0  0  0  0  0
    2.8566   -2.7005    3.2276 H   0  0  0  0  0
    5.2309    1.1346    0.8648 H   0  0  0  0  0
    3.7977    1.9475    3.4838 H   0  0  0  0  0
    3.9585    2.9271    1.8301 H   0  0  0  0  0
    6.1315    1.9846    3.8107 H   0  0  0  0  0
    6.0564    3.5371    1.0109 H   0  0  0  0  0
    7.5542    2.9672    1.8320 H   0  0  0  0  0
    5.6343    4.9785    2.8826 H   0  0  0  0  0
    7.1536    5.2863    2.2033 H   0  0  0  0  0
    1.1477    2.6740   -2.4566 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  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  4  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  4 25  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 13  1  0  0  0
  8  9  2  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 27  1  0  0  0
 11 28  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3416040

>  <PubChem CID>
118733775

>  <Formula>
C14H19Cl2NO

>  <Molecular Weight>
288.212000

>  <IUPAC Name>
[(1R,2R)-2-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC1COC2=C(C=C(C=C2)Cl)C3CC3CN.Cl

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

>  <InChI Std. ID>
InChI=1S/C14H18ClNO.ClH/c15-11-3-4-14(17-8-9-1-2-9)13(6-11)12-5-10(12)7-16;/h3-4,6,9-10,12H,1-2,5,7-8,16H2;1H/t10-,12+;/m0./s1

>  <InChI Key>
ADBDSUXLKBQQCE-XOZOLZJESA-N

