
 CHEMBL257911

 36 37  0  0  0  0  0  0  0  0999 V2000
    0.7233    0.1305    0.6036 C   0  0  0  0  0
    2.1960    0.1762    0.2113 C   0  0  0  0  0
    2.9040    1.3688    0.8530 C   0  0  0  0  0
    4.3269    0.8802    0.9896 C   0  0  0  0  0
    4.1291   -0.5686    1.3897 C   0  0  0  0  0
    2.9153   -1.0287    0.6866 N   0  0  0  0  0
    3.2742   -1.9501   -0.4090 C   0  0  0  0  0
    2.0650   -2.5796   -1.1213 C   0  0  0  0  0
    2.5057   -3.5458   -2.1955 C   0  0  0  0  0
    2.6497   -4.9088   -1.9122 C   0  0  0  0  0
    3.0954   -5.7923   -2.8978 C   0  0  0  0  0
    3.4068   -5.3278   -4.1812 C   0  0  0  0  0
    3.2645   -3.9658   -4.4641 C   0  0  0  0  0
    2.8180   -3.0819   -3.4795 C   0  0  0  0  0
    3.9016   -6.2854   -5.2246 C   0  0  0  0  0
    0.2109   -0.7192    0.1429 H   0  0  0  0  0
    0.2129    1.0433    0.2790 H   0  0  0  0  0
    0.5993    0.0455    1.6888 H   0  0  0  0  0
    2.2803    0.2839   -0.8784 H   0  0  0  0  0
    2.4918    1.5972    1.8435 H   0  0  0  0  0
    2.8372    2.2717    0.2381 H   0  0  0  0  0
    4.8467    0.9463    0.0261 H   0  0  0  0  0
    4.8939    1.4485    1.7317 H   0  0  0  0  0
    5.0236   -1.1700    1.1896 H   0  0  0  0  0
    3.9377   -0.6289    2.4676 H   0  0  0  0  0
    3.8701   -2.7713    0.0143 H   0  0  0  0  0
    3.9188   -1.4431   -1.1392 H   0  0  0  0  0
    1.4357   -1.8118   -1.5870 H   0  0  0  0  0
    1.4266   -3.1003   -0.3957 H   0  0  0  0  0
    2.4205   -5.2907   -0.9200 H   0  0  0  0  0
    3.2027   -6.8474   -2.6565 H   0  0  0  0  0
    3.5034   -3.5805   -5.4526 H   0  0  0  0  0
    2.7198   -2.0254   -3.7202 H   0  0  0  0  0
    4.0490   -5.7876   -6.1883 H   0  0  0  0  0
    3.1764   -7.0916   -5.3721 H   0  0  0  0  0
    4.8603   -6.7141   -4.9160 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>
CHEMBL257911

>  <PubChem CID>
44456126

>  <Formula>
C14H21N

>  <Molecular Weight>
203.329000

>  <IUPAC Name>
(2S)-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-/m0/s1

>  <InChI Key>
BFMXEUSPYLVDSY-ZDUSSCGKSA-N

