
 CHEMBL169494

 43 45  0  0  0  0  0  0  0  0999 V2000
    3.2578   -0.1326   -3.6388 C   0  0  0  0  0
    3.7699   -0.0902   -2.2667 N   0  0  0  0  0
    4.7970   -1.1169   -2.0881 C   0  0  0  0  0
    4.2769    1.2616   -1.9627 C   0  0  0  0  0
    4.6436    1.4773   -0.4825 C   0  0  0  0  0
    5.0418    2.9022   -0.2219 C   0  0  0  0  0
    4.2817    3.8898    0.3007 C   0  0  0  0  0
    5.0993    5.1069    0.3137 C   0  0  0  0  0
    4.7861    6.4079    0.6744 C   0  0  0  0  0
    5.7797    7.3887    0.5860 C   0  0  0  0  0
    7.0682    7.0652    0.1350 C   0  0  0  0  0
    7.3785    5.7593   -0.2451 C   0  0  0  0  0
    6.3833    4.7986   -0.1558 C   0  0  0  0  0
    6.4531    3.3529   -0.5322 C   0  0  0  0  0
    2.8499    3.8367    0.7380 C   0  0  0  0  0
    2.6811    3.5416    2.2137 C   0  0  0  0  0
    2.6569    4.5729    3.1509 C   0  0  0  0  0
    2.5200    4.2590    4.5003 C   0  0  0  0  0
    2.4120    2.9288    4.8825 C   0  0  0  0  0
    2.4415    1.9627    3.8926 C   0  0  0  0  0
    2.5684    2.2381    2.5765 N   0  0  0  0  0
    2.4444    0.5899   -3.7704 H   0  0  0  0  0
    2.8359   -1.1187   -3.8639 H   0  0  0  0  0
    4.0374    0.0863   -4.3778 H   0  0  0  0  0
    4.4074   -2.1036   -2.3648 H   0  0  0  0  0
    5.0980   -1.1975   -1.0391 H   0  0  0  0  0
    5.6885   -0.9194   -2.6942 H   0  0  0  0  0
    3.4922    1.9886   -2.2140 H   0  0  0  0  0
    5.1385    1.4978   -2.6013 H   0  0  0  0  0
    5.4745    0.8277   -0.1845 H   0  0  0  0  0
    3.7936    1.1948    0.1490 H   0  0  0  0  0
    3.7924    6.6801    1.0088 H   0  0  0  0  0
    5.5510    8.4142    0.8663 H   0  0  0  0  0
    7.8276    7.8411    0.0741 H   0  0  0  0  0
    8.3705    5.5076   -0.6050 H   0  0  0  0  0
    6.6841    3.2367   -1.5950 H   0  0  0  0  0
    7.1823    2.8197    0.0850 H   0  0  0  0  0
    2.3182    3.0599    0.1729 H   0  0  0  0  0
    2.3292    4.7678    0.4823 H   0  0  0  0  0
    2.7440    5.6085    2.8448 H   0  0  0  0  0
    2.5021    5.0477    5.2463 H   0  0  0  0  0
    2.3092    2.6506    5.9250 H   0  0  0  0  0
    2.3626    0.9073    4.1372 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL169494

>  <PubChem CID>
10880435

>  <Formula>
C19H22N2

>  <Molecular Weight>
278.399000

>  <IUPAC Name>
N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine

>  <XlogP>
2.400

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CCC1=C(C2=CC=CC=C2C1)CC3=CC=CC=N3

>  <Isomeric SMILES>
CN(C)CCC1=C(C2=CC=CC=C2C1)CC3=CC=CC=N3

>  <InChI Std. ID>
InChI=1S/C19H22N2/c1-21(2)12-10-16-13-15-7-3-4-9-18(15)19(16)14-17-8-5-6-11-20-17/h3-9,11H,10,12-14H2,1-2H3

>  <InChI Key>
APFCQQCNJNTQPE-UHFFFAOYSA-N

