
 CHEMBL377572

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.8148   -0.2985   -0.1554 C   0  0  0  0  0
   -0.6739   -0.2830   -0.0256 C   0  0  0  0  0
    0.1381   -1.3118    0.7442 C   0  0  0  0  0
    0.2694   -1.1531    2.2413 C   0  0  0  0  0
    0.3472   -2.1700    3.1648 C   0  0  0  0  0
    0.4578   -1.6620    4.4345 N   0  0  0  0  0
    0.4540   -0.3564    4.2870 C   0  0  0  0  0
    0.3422    0.0001    2.9730 N   0  0  0  0  0
   -1.5252   -0.7104   -1.1915 C   0  0  0  0  0
   -3.0072   -0.7839   -0.8042 C   0  0  0  0  0
   -3.8293   -1.1661   -1.9555 N   0  0  0  0  0
   -5.2432   -1.2248   -1.5819 C   0  0  0  0  0
   -6.1199   -1.6473   -2.7412 C   0  0  0  0  0
   -7.0431   -0.7501   -3.2996 C   0  0  0  0  0
   -7.8865   -1.1517   -4.3394 C   0  0  0  0  0
   -7.8057   -2.4515   -4.8340 C   0  0  0  0  0
   -6.8877   -3.3523   -4.2985 C   0  0  0  0  0
   -6.0499   -2.9529   -3.2538 C   0  0  0  0  0
   -8.8502   -2.9492   -6.1070 Cl  0  0  0  0  0
    1.2544   -0.6626   -1.0774 H   0  0  0  0  0
    1.3766    0.5155    0.2897 H   0  0  0  0  0
   -1.1061    0.5597    0.5008 H   0  0  0  0  0
    0.1188   -2.3381    0.3904 H   0  0  0  0  0
    0.3298   -3.2376    2.9891 H   0  0  0  0  0
    0.5292    0.3718    5.0834 H   0  0  0  0  0
    0.3226    0.9422    2.6112 H   0  0  0  0  0
   -1.1909   -1.6842   -1.5739 H   0  0  0  0  0
   -1.3930    0.0150   -2.0039 H   0  0  0  0  0
   -3.3268    0.1968   -0.4324 H   0  0  0  0  0
   -3.1337   -1.5048    0.0138 H   0  0  0  0  0
   -3.5346   -2.0793   -2.2958 H   0  0  0  0  0
   -5.5673   -0.2379   -1.2267 H   0  0  0  0  0
   -5.4033   -1.9295   -0.7573 H   0  0  0  0  0
   -7.1168    0.2680   -2.9238 H   0  0  0  0  0
   -8.6032   -0.4486   -4.7549 H   0  0  0  0  0
   -6.8232   -4.3657   -4.6850 H   0  0  0  0  0
   -5.3458   -3.6688   -2.8376 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>
CHEMBL377572

>  <PubChem CID>
16082860

>  <Formula>
C15H18ClN3

>  <Molecular Weight>
275.780000

>  <IUPAC Name>
N-[(4-chlorophenyl)methyl]-2-[(1R,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+/m0/s1

>  <InChI Key>
BOQXUEKBVIXPKQ-GXTWGEPZSA-N

