
 CHEMBL161241

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.2968   -0.6744    2.9222 C   0  0  0  0  0
    3.4587   -0.2766    1.5207 N   0  0  0  0  0
    2.1963   -0.4673    0.8047 C   0  0  0  0  0
    3.9299    1.1223    1.4495 C   0  0  0  0  0
    4.3387    1.5646    0.0327 C   0  0  0  0  0
    4.9387    2.9330    0.0265 C   0  0  0  0  0
    6.2422    3.2627   -0.0040 C   0  0  0  0  0
    6.4730    4.7525   -0.0217 C   0  0  0  0  0
    5.0643    5.2586   -0.0184 C   0  0  0  0  0
    4.6175    6.5696   -0.0460 C   0  0  0  0  0
    3.2396    6.7939   -0.0511 C   0  0  0  0  0
    2.3393    5.7159   -0.0283 C   0  0  0  0  0
    2.8034    4.3966    0.0019 C   0  0  0  0  0
    4.1709    4.1777    0.0075 C   0  0  0  0  0
    4.2486   -0.5938    3.4592 H   0  0  0  0  0
    2.9894   -1.7240    2.9923 H   0  0  0  0  0
    2.5525   -0.0609    3.4426 H   0  0  0  0  0
    1.8390   -1.4972    0.9209 H   0  0  0  0  0
    2.3253   -0.3156   -0.2713 H   0  0  0  0  0
    1.4116    0.2090    1.1623 H   0  0  0  0  0
    4.8156    1.2206    2.0925 H   0  0  0  0  0
    3.1703    1.8034    1.8556 H   0  0  0  0  0
    3.4817    1.5451   -0.6499 H   0  0  0  0  0
    5.0664    0.8480   -0.3708 H   0  0  0  0  0
    7.0545    2.5481   -0.0128 H   0  0  0  0  0
    7.0038    5.0545   -0.9288 H   0  0  0  0  0
    7.0152    5.0746    0.8718 H   0  0  0  0  0
    5.3148    7.4006   -0.0677 H   0  0  0  0  0
    2.8585    7.8124   -0.0766 H   0  0  0  0  0
    1.2695    5.9113   -0.0371 H   0  0  0  0  0
    2.0997    3.5718    0.0151 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  4  1  0  0  0
  2  3  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL161241

>  <PubChem CID>
547452

>  <Formula>
C13H17N

>  <Molecular Weight>
187.286000

>  <IUPAC Name>
2-(3H-inden-1-yl)-N,N-dimethylethanamine

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CN(C)CCC1=CCC2=CC=CC=C21

>  <Isomeric SMILES>
CN(C)CCC1=CCC2=CC=CC=C21

>  <InChI Std. ID>
InChI=1S/C13H17N/c1-14(2)10-9-12-8-7-11-5-3-4-6-13(11)12/h3-6,8H,7,9-10H2,1-2H3

>  <InChI Key>
FOBWFOXXVASKOU-UHFFFAOYSA-N

