
 CHEMBL213886

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.4141   -2.3248   -1.9490 C   0  0  0  0  0
   -0.9959   -2.1657   -1.4810 C   0  0  0  0  0
   -0.7166   -2.4498   -2.9473 C   0  0  0  0  0
   -1.0645   -3.8119   -3.4975 C   0  0  0  0  0
   -1.5054   -4.0841   -4.7710 C   0  0  0  0  0
   -1.7233   -5.4298   -4.9296 N   0  0  0  0  0
   -1.4217   -5.9679   -3.7695 C   0  0  0  0  0
   -1.0149   -5.0250   -2.8686 N   0  0  0  0  0
   -1.5071   -0.8072   -1.0802 C   0  0  0  0  0
   -3.0176   -0.7975   -0.8042 C   0  0  0  0  0
   -3.7811   -1.1900   -1.9890 N   0  0  0  0  0
   -5.2219   -1.1672   -1.7294 C   0  0  0  0  0
   -6.0261   -1.7284   -2.8840 C   0  0  0  0  0
   -7.2336   -2.3984   -2.6289 C   0  0  0  0  0
   -8.0027   -2.9075   -3.6789 C   0  0  0  0  0
   -7.5745   -2.7433   -4.9940 C   0  0  0  0  0
   -6.3903   -2.0653   -5.2687 C   0  0  0  0  0
   -5.6263   -1.5502   -4.2186 C   0  0  0  0  0
   -8.5195   -3.3745   -6.2859 Cl  0  0  0  0  0
    1.0434   -1.4434   -2.0174 H   0  0  0  0  0
    0.9578   -3.2145   -1.6537 H   0  0  0  0  0
   -1.3905   -2.9505   -0.8464 H   0  0  0  0  0
   -0.8371   -1.6285   -3.6496 H   0  0  0  0  0
   -1.6754   -3.3893   -5.5838 H   0  0  0  0  0
   -1.4765   -7.0206   -3.5268 H   0  0  0  0  0
   -0.7273   -5.1959   -1.9165 H   0  0  0  0  0
   -1.2681   -0.0598   -1.8474 H   0  0  0  0  0
   -0.9859   -0.4970   -0.1666 H   0  0  0  0  0
   -3.3061    0.2138   -0.4936 H   0  0  0  0  0
   -3.2355   -1.4793    0.0269 H   0  0  0  0  0
   -3.5158   -2.1361   -2.2685 H   0  0  0  0  0
   -5.5567   -0.1392   -1.5477 H   0  0  0  0  0
   -5.4381   -1.7608   -0.8322 H   0  0  0  0  0
   -7.5838   -2.5313   -1.6075 H   0  0  0  0  0
   -8.9315   -3.4288   -3.4647 H   0  0  0  0  0
   -6.0545   -1.9323   -6.2936 H   0  0  0  0  0
   -4.7067   -1.0140   -4.4474 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>
CHEMBL213886

>  <PubChem CID>
16082828

>  <Formula>
C15H18ClN3

>  <Molecular Weight>
275.780000

>  <IUPAC Name>
N-[(4-chlorophenyl)methyl]-2-[(1S,2R)-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-TZMCWYRMSA-N

