
 CHEMBL257919

 33 34  0  0  0  0  0  0  0  0999 V2000
    2.6457   -2.0678    2.4307 C   0  0  0  0  0
    2.7799   -1.3378    1.1274 C   0  0  0  0  0
    3.6216   -0.2224    1.0238 C   0  0  0  0  0
    3.7366    0.4838   -0.1832 C   0  0  0  0  0
    2.9783    0.0755   -1.2862 C   0  0  0  0  0
    2.1266   -1.0245   -1.1863 C   0  0  0  0  0
    2.0244   -1.7255    0.0155 C   0  0  0  0  0
    4.6495    1.6838   -0.2788 C   0  0  0  0  0
    3.9445    2.9745    0.1679 C   0  0  0  0  0
    4.8237    4.1501    0.1039 N   0  0  0  0  0
    4.1030    5.3874    0.4124 C   0  0  0  0  0
    5.2386    6.3742    0.6080 C   0  0  0  0  0
    6.3293    5.5558    1.2830 C   0  0  0  0  0
    5.9362    4.0992    1.0592 C   0  0  0  0  0
    3.5869   -2.0430    2.9902 H   0  0  0  0  0
    2.3947   -3.1208    2.2656 H   0  0  0  0  0
    1.8603   -1.6079    3.0383 H   0  0  0  0  0
    4.1975    0.0973    1.8902 H   0  0  0  0  0
    3.0463    0.6127   -2.2294 H   0  0  0  0  0
    1.5398   -1.3355   -2.0467 H   0  0  0  0  0
    1.3519   -2.5778    0.0784 H   0  0  0  0  0
    5.0102    1.7895   -1.3102 H   0  0  0  0  0
    5.5389    1.4899    0.3331 H   0  0  0  0  0
    3.5364    2.8520    1.1801 H   0  0  0  0  0
    3.0856    3.1423   -0.4955 H   0  0  0  0  0
    3.5160    5.2988    1.3354 H   0  0  0  0  0
    3.4401    5.6938   -0.4022 H   0  0  0  0  0
    5.5974    6.7406   -0.3621 H   0  0  0  0  0
    4.9411    7.2405    1.2067 H   0  0  0  0  0
    7.3087    5.7855    0.8512 H   0  0  0  0  0
    6.3716    5.7771    2.3548 H   0  0  0  0  0
    6.7783    3.5233    0.6620 H   0  0  0  0  0
    5.6346    3.6539    2.0159 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  6  7  2  0  0  0
  6 20  1  0  0  0
  7 21  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL257919

>  <PubChem CID>
44456174

>  <Formula>
C13H19N

>  <Molecular Weight>
189.302000

>  <IUPAC Name>
1-[2-(3-methylphenyl)ethyl]pyrrolidine

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=CC(=CC=C1)CCN2CCCC2

>  <Isomeric SMILES>
CC1=CC(=CC=C1)CCN2CCCC2

>  <InChI Std. ID>
InChI=1S/C13H19N/c1-12-5-4-6-13(11-12)7-10-14-8-2-3-9-14/h4-6,11H,2-3,7-10H2,1H3

>  <InChI Key>
AXQOVIUHTPHFNE-UHFFFAOYSA-N

