
 CHEMBL403052

 36 37  0  0  0  0  0  0  0  0999 V2000
    0.7444    0.1760    0.5766 C   0  0  0  0  0
    2.2289    0.1743    0.2294 C   0  0  0  0  0
    2.9590    1.3326    0.9077 C   0  0  0  0  0
    4.3557    0.7874    1.0938 C   0  0  0  0  0
    4.0862   -0.6557    1.4703 C   0  0  0  0  0
    2.8891   -1.0630    0.7079 N   0  0  0  0  0
    3.2645   -1.9716   -0.3935 C   0  0  0  0  0
    2.0623   -2.5650   -1.1468 C   0  0  0  0  0
    2.5103   -3.5123   -2.2350 C   0  0  0  0  0
    2.6649   -4.8781   -1.9718 C   0  0  0  0  0
    3.1117   -5.7445   -2.9719 C   0  0  0  0  0
    3.4130   -5.2606   -4.2504 C   0  0  0  0  0
    3.2620   -3.8950   -4.5126 C   0  0  0  0  0
    2.8152   -3.0279   -3.5132 C   0  0  0  0  0
    3.9048   -6.2002   -5.3106 C   0  0  0  0  0
    0.2163   -0.6481    0.0873 H   0  0  0  0  0
    0.2767    1.1115    0.2512 H   0  0  0  0  0
    0.5841    0.0797    1.6564 H   0  0  0  0  0
    2.3484    0.2928   -0.8558 H   0  0  0  0  0
    2.5189    1.5701    1.8842 H   0  0  0  0  0
    2.9514    2.2420    0.2990 H   0  0  0  0  0
    4.9155    0.8424    0.1525 H   0  0  0  0  0
    4.9146    1.3264    1.8641 H   0  0  0  0  0
    4.9649   -1.2895    1.3065 H   0  0  0  0  0
    3.8424   -0.7170    2.5380 H   0  0  0  0  0
    3.8333   -2.8109    0.0301 H   0  0  0  0  0
    3.9385   -1.4637   -1.0968 H   0  0  0  0  0
    1.4539   -1.7767   -1.6051 H   0  0  0  0  0
    1.4015   -3.0941   -0.4482 H   0  0  0  0  0
    2.4423   -5.2755   -0.9841 H   0  0  0  0  0
    3.2262   -6.8025   -2.7463 H   0  0  0  0  0
    3.4934   -3.4943   -5.4966 H   0  0  0  0  0
    2.7090   -1.9691   -3.7387 H   0  0  0  0  0
    4.0455   -5.6874   -6.2678 H   0  0  0  0  0
    3.1809   -7.0063   -5.4669 H   0  0  0  0  0
    4.8664   -6.6312   -5.0142 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 32  1  0  0  0
 14 33  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL403052

>  <PubChem CID>
44456127

>  <Formula>
C14H21N

>  <Molecular Weight>
203.329000

>  <IUPAC Name>
(2R)-2-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidine

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1CCCN1CCC2=CC=C(C=C2)C

>  <Isomeric SMILES>
C[C@@H]1CCCN1CCC2=CC=C(C=C2)C

>  <InChI Std. ID>
InChI=1S/C14H21N/c1-12-5-7-14(8-6-12)9-11-15-10-3-4-13(15)2/h5-8,13H,3-4,9-11H2,1-2H3/t13-/m1/s1

>  <InChI Key>
BFMXEUSPYLVDSY-CYBMUJFWSA-N

