
 CHEMBL1224263

 51 53  0  0  0  0  0  0  0  0999 V2000
    1.0984    0.0220    0.1641 C   0  0  0  0  0
    2.6308   -0.0112    0.2400 C   0  0  0  0  0
    3.1555   -1.0272   -0.7612 C   0  0  0  0  0
    3.3278   -0.7061   -2.1183 C   0  0  0  0  0
    3.7339   -1.6693   -3.0466 C   0  0  0  0  0
    3.9919   -2.9692   -2.6163 C   0  0  0  0  0
    3.8291   -3.3058   -1.2699 C   0  0  0  0  0
    3.4090   -2.3434   -0.3503 C   0  0  0  0  0
    3.8583   -1.2193   -4.3326 O   0  0  0  0  0
    3.8271   -2.2128   -5.3504 C   0  0  0  0  0
    3.1393    1.3497    0.0250 N   0  0  0  0  0
    4.5354    1.4995    0.4367 C   0  0  0  0  0
    4.9538    2.9463    0.3068 C   0  0  0  0  0
    4.9354    3.8015    1.4149 C   0  0  0  0  0
    5.2701    5.1453    1.2683 C   0  0  0  0  0
    5.6163    5.6492    0.0120 C   0  0  0  0  0
    5.6409    4.8234   -1.1243 C   0  0  0  0  0
    5.3065    3.4673   -0.9506 C   0  0  0  0  0
    5.9809    5.3630   -2.4580 C   0  0  0  0  0
    7.0506    6.2566   -2.6331 C   0  0  0  0  0
    7.3536    6.7838   -3.8937 C   0  0  0  0  0
    6.5930    6.4384   -5.0101 C   0  0  0  0  0
    5.5430    5.5377   -4.8612 C   0  0  0  0  0
    5.2403    5.0106   -3.5982 C   0  0  0  0  0
    6.9809    7.0297   -6.1800 O   0  0  0  0  0
    6.0426    6.9827   -7.2494 C   0  0  0  0  0
    0.6828    0.7000    0.9179 H   0  0  0  0  0
    0.6751   -0.9721    0.3477 H   0  0  0  0  0
    0.7460    0.3543   -0.8195 H   0  0  0  0  0
    2.8984   -0.3310    1.2563 H   0  0  0  0  0
    3.1292    0.3067   -2.4623 H   0  0  0  0  0
    4.3300   -3.7417   -3.2996 H   0  0  0  0  0
    4.0256   -4.3227   -0.9384 H   0  0  0  0  0
    3.2713   -2.6323    0.6896 H   0  0  0  0  0
    3.7964   -1.7000   -6.3163 H   0  0  0  0  0
    2.9257   -2.8316   -5.2716 H   0  0  0  0  0
    4.7306   -2.8284   -5.3314 H   0  0  0  0  0
    2.5788    2.0112    0.5596 H   0  0  0  0  0
    5.2017    0.8822   -0.1773 H   0  0  0  0  0
    4.6715    1.1791    1.4774 H   0  0  0  0  0
    4.6518    3.4271    2.3954 H   0  0  0  0  0
    5.2493    5.8087    2.1293 H   0  0  0  0  0
    5.8466    6.7090   -0.0769 H   0  0  0  0  0
    5.3103    2.7934   -1.8068 H   0  0  0  0  0
    7.6695    6.5477   -1.7875 H   0  0  0  0  0
    8.1850    7.4758   -4.0015 H   0  0  0  0  0
    4.9390    5.2165   -5.7033 H   0  0  0  0  0
    4.4006    4.3226   -3.5118 H   0  0  0  0  0
    6.4278    7.6096   -8.0591 H   0  0  0  0  0
    5.0723    7.3910   -6.9453 H   0  0  0  0  0
    5.9386    5.9650   -7.6369 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2 11  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 26 49  1  0  0  0
 26 50  1  0  0  0
 26 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1224263

>  <PubChem CID>
49866003

>  <Formula>
C23H25NO2

>  <Molecular Weight>
347.458000

>  <IUPAC Name>
(1R)-1-(3-methoxyphenyl)-N-[[3-(4-methoxyphenyl)phenyl]methyl]ethanamine

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC(=CC=C1)OC)NCC2=CC=CC(=C2)C3=CC=C(C=C3)OC

>  <Isomeric SMILES>
C[C@H](C1=CC(=CC=C1)OC)NCC2=CC=CC(=C2)C3=CC=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C23H25NO2/c1-17(20-7-5-9-23(15-20)26-3)24-16-18-6-4-8-21(14-18)19-10-12-22(25-2)13-11-19/h4-15,17,24H,16H2,1-3H3/t17-/m1/s1

>  <InChI Key>
AHRINSLALPTLTE-QGZVFWFLSA-N

