
 CHEMBL1782087

 48 51  0  0  0  0  0  0  0  0999 V2000
    1.0232    8.2365   -0.4000 C   0  0  0  0  0
    1.1494    6.9032   -0.9541 N   0  0  0  0  0
    1.1335    5.8026    0.0057 C   0  0  0  0  0
    1.3134    4.6064   -0.9365 C   0  0  0  0  0
    2.1395    5.1559   -2.0940 C   0  0  0  0  0
    2.3470    6.6326   -1.7437 C   0  0  0  0  0
    3.6522    6.8285   -0.9612 C   0  0  0  0  0
    3.6177    6.4987    0.5623 C   0  0  0  0  0
    2.2713    5.8666    1.0358 C   0  0  0  0  0
    4.8864    5.7018    1.0663 C   0  0  0  0  0
    6.2534    6.2800    0.6242 C   0  0  0  0  0
    7.3832    5.4386    0.5655 C   0  0  0  0  0
    8.6338    5.9269    0.1791 C   0  0  0  0  0
    8.7891    7.2723   -0.1390 C   0  0  0  0  0
    7.6996    8.1306   -0.0531 C   0  0  0  0  0
    6.4480    7.6430    0.3346 C   0  0  0  0  0
    4.8547    5.5598    2.6063 C   0  0  0  0  0
    4.4389    4.3686    3.2289 C   0  0  0  0  0
    4.3771    4.2610    4.6213 C   0  0  0  0  0
    4.7495    5.3357    5.4233 C   0  0  0  0  0
    5.1754    6.5212    4.8338 C   0  0  0  0  0
    5.2174    6.6357    3.4414 C   0  0  0  0  0
    4.7619    4.3940    0.4673 O   0  0  0  0  0
    0.0680    8.3331    0.1279 H   0  0  0  0  0
    1.0131    8.9785   -1.2056 H   0  0  0  0  0
    1.8154    8.5170    0.2981 H   0  0  0  0  0
    0.1699    5.7194    0.5211 H   0  0  0  0  0
    0.3403    4.2686   -1.3153 H   0  0  0  0  0
    1.7978    3.7471   -0.4626 H   0  0  0  0  0
    3.0769    4.6052   -2.2215 H   0  0  0  0  0
    1.5698    5.0588   -3.0267 H   0  0  0  0  0
    2.3745    7.2277   -2.6638 H   0  0  0  0  0
    4.4522    6.2774   -1.4686 H   0  0  0  0  0
    3.9236    7.8882   -1.0586 H   0  0  0  0  0
    3.6567    7.4752    1.0683 H   0  0  0  0  0
    2.4212    4.8563    1.4295 H   0  0  0  0  0
    1.9198    6.4598    1.8915 H   0  0  0  0  0
    7.2944    4.3874    0.8383 H   0  0  0  0  0
    9.4885    5.2567    0.1376 H   0  0  0  0  0
    9.7622    7.6541   -0.4363 H   0  0  0  0  0
    7.8221    9.1879   -0.2784 H   0  0  0  0  0
    5.6347    8.3583    0.4200 H   0  0  0  0  0
    4.1416    3.5114    2.6274 H   0  0  0  0  0
    4.0376    3.3347    5.0770 H   0  0  0  0  0
    4.7086    5.2486    6.5056 H   0  0  0  0  0
    5.4753    7.3605    5.4557 H   0  0  0  0  0
    5.5506    7.5796    3.0173 H   0  0  0  0  0
    5.2025    4.4341   -0.3977 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  9  1  0  0  0
  3  4  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  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 35  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 23  1  0  0  0
 10 17  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 16  2  0  0  0
 15 41  1  0  0  0
 16 42  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 44  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 47  1  0  0  0
 23 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1782087

>  <PubChem CID>
6351765

>  <Formula>
C21H25NO

>  <Molecular Weight>
307.437000

>  <IUPAC Name>
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-diphenylmethanol

>  <XlogP>
4.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C2CCC1CC(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

>  <Isomeric SMILES>
CN1[C@@H]2CC[C@@H]1CC(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

>  <InChI Std. ID>
InChI=1S/C21H25NO/c1-22-19-12-13-20(22)15-18(14-19)21(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,23H,12-15H2,1H3/t19-,20-/m1/s1

>  <InChI Key>
AMCQLHFZSJNRGF-WOJBJXKFSA-N

