
 CHEMBL215628

 37 39  0  0  0  0  0  0  0  0999 V2000
   -0.8352    1.1092    0.5745 C   0  0  0  0  0
   -0.7015   -0.2598   -0.0111 C   0  0  0  0  0
    0.4260    0.7439   -0.1796 C   0  0  0  0  0
    1.7022    0.5726    0.6145 C   0  0  0  0  0
    1.8879    0.0504    1.8740 C   0  0  0  0  0
    3.2132    0.1006    2.2295 N   0  0  0  0  0
    3.8259    0.6455    1.2035 C   0  0  0  0  0
    2.9516    0.9431    0.1971 N   0  0  0  0  0
   -1.5453   -0.6545   -1.1918 C   0  0  0  0  0
   -3.0139   -0.8318   -0.7877 C   0  0  0  0  0
   -3.8297   -1.2018   -1.9445 N   0  0  0  0  0
   -5.2449   -1.2660   -1.5778 C   0  0  0  0  0
   -6.0989   -1.6852   -2.7521 C   0  0  0  0  0
   -6.8709   -2.8549   -2.6930 C   0  0  0  0  0
   -7.6765   -3.2274   -3.7721 C   0  0  0  0  0
   -7.7145   -2.4326   -4.9158 C   0  0  0  0  0
   -6.9539   -1.2685   -4.9914 C   0  0  0  0  0
   -6.1498   -0.8958   -3.9122 C   0  0  0  0  0
   -8.7091   -2.8926   -6.2426 Cl  0  0  0  0  0
   -1.5065    1.8200    0.1042 H   0  0  0  0  0
   -0.8004    1.2058    1.6539 H   0  0  0  0  0
   -0.5596   -1.0907    0.6714 H   0  0  0  0  0
    0.5518    1.1940   -1.1603 H   0  0  0  0  0
    1.1455   -0.3540    2.5489 H   0  0  0  0  0
    4.8859    0.8480    1.1322 H   0  0  0  0  0
    3.1873    1.3708   -0.6870 H   0  0  0  0  0
   -1.1531   -1.5919   -1.6050 H   0  0  0  0  0
   -1.4704    0.0993   -1.9856 H   0  0  0  0  0
   -3.3821    0.1096   -0.3616 H   0  0  0  0  0
   -3.0901   -1.5979   -0.0060 H   0  0  0  0  0
   -3.5382   -2.1142   -2.2944 H   0  0  0  0  0
   -5.5981   -0.2852   -1.2353 H   0  0  0  0  0
   -5.3864   -1.9697   -0.7483 H   0  0  0  0  0
   -6.8534   -3.4830   -1.8050 H   0  0  0  0  0
   -8.2712   -4.1348   -3.7128 H   0  0  0  0  0
   -6.9809   -0.6481   -5.8827 H   0  0  0  0  0
   -5.5539    0.0131   -3.9752 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL215628

>  <PubChem CID>
16082856

>  <Formula>
C15H18ClN3

>  <Molecular Weight>
275.780000

>  <IUPAC Name>
N-[(4-chlorophenyl)methyl]-2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1C(C1C2=CN=CN2)CCNCC3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
C1[C@H]([C@H]1C2=CN=CN2)CCNCC3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m1/s1

>  <InChI Key>
BOQXUEKBVIXPKQ-OCCSQVGLSA-N

