
 CHEMBL2048967

 44 45  0  0  0  0  0  0  0  0999 V2000
    0.9949   -1.0245    1.9410 C   0  0  0  0  0
    2.1121   -0.6742    1.0553 N   0  0  0  0  0
    1.7179   -0.8002   -0.3658 C   0  0  0  0  0
    1.4686   -2.2398   -0.8400 C   0  0  0  0  0
    1.1416   -2.2104   -2.2342 O   0  0  0  0  0
    0.8936   -3.5194   -2.7381 C   0  0  0  0  0
    0.4696   -3.4823   -4.1790 C   0  0  0  0  0
    0.3477   -2.3841   -4.9449 C   0  0  0  0  0
   -0.0854   -2.3407   -6.3553 C   0  0  0  0  0
   -0.0147   -1.1150   -7.0357 C   0  0  0  0  0
   -0.4331   -1.0021   -8.3656 C   0  0  0  0  0
   -0.9296   -2.1155   -9.0370 C   0  0  0  0  0
   -1.0086   -3.3392   -8.3783 C   0  0  0  0  0
   -0.5922   -3.4498   -7.0470 C   0  0  0  0  0
    2.5558    0.7173    1.3027 C   0  0  0  0  0
    3.2104    0.9649    2.6490 C   0  0  0  0  0
    4.0207    0.0025    3.2695 C   0  0  0  0  0
    4.6489    0.2760    4.4865 C   0  0  0  0  0
    4.4951    1.5238    5.0871 C   0  0  0  0  0
    3.7151    2.4995    4.4710 C   0  0  0  0  0
    3.0791    2.2233    3.2588 C   0  0  0  0  0
    1.2691   -0.9225    2.9962 H   0  0  0  0  0
    0.7120   -2.0746    1.8167 H   0  0  0  0  0
    0.1107   -0.4038    1.7573 H   0  0  0  0  0
    2.5177   -0.3977   -1.0026 H   0  0  0  0  0
    0.8337   -0.1857   -0.5844 H   0  0  0  0  0
    0.6336   -2.6918   -0.2955 H   0  0  0  0  0
    2.3687   -2.8472   -0.6894 H   0  0  0  0  0
    0.0951   -3.9911   -2.1536 H   0  0  0  0  0
    1.8031   -4.1233   -2.6484 H   0  0  0  0  0
    0.2511   -4.4626   -4.5895 H   0  0  0  0  0
    0.5853   -1.4171   -4.5036 H   0  0  0  0  0
    0.3673   -0.2280   -6.5351 H   0  0  0  0  0
   -0.3717   -0.0433   -8.8739 H   0  0  0  0  0
   -1.2575   -2.0298  -10.0695 H   0  0  0  0  0
   -1.3988   -4.2112   -8.8966 H   0  0  0  0  0
   -0.6803   -4.4190   -6.5664 H   0  0  0  0  0
    1.7061    1.4021    1.1754 H   0  0  0  0  0
    3.3091    0.9984    0.5552 H   0  0  0  0  0
    4.1597   -0.9723    2.8057 H   0  0  0  0  0
    5.2617   -0.4846    4.9624 H   0  0  0  0  0
    4.9893    1.7384    6.0306 H   0  0  0  0  0
    3.6059    3.4787    4.9303 H   0  0  0  0  0
    2.4840    3.0019    2.7868 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 15  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 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
 21 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2048967

>  <PubChem CID>
70692613

>  <Formula>
C19H23NO

>  <Molecular Weight>
281.399000

>  <IUPAC Name>
N-benzyl-N-methyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(CCOCC=CC1=CC=CC=C1)CC2=CC=CC=C2

>  <Isomeric SMILES>
CN(CCOC/C=C/C1=CC=CC=C1)CC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C19H23NO/c1-20(17-19-11-6-3-7-12-19)14-16-21-15-8-13-18-9-4-2-5-10-18/h2-13H,14-17H2,1H3/b13-8+

>  <InChI Key>
AYDLVCHMZVPNEM-MDWZMJQESA-N

