
 orphenadrine

 43 44  0  0  0  0  0  0  0  0999 V2000
    2.9016   -0.1539    2.7093 C   0  0  0  0  0
    3.2450    0.0409    1.2584 C   0  0  0  0  0
    3.7259    1.3044    0.8610 C   0  0  0  0  0
    4.0569    1.5681   -0.4665 C   0  0  0  0  0
    3.9167    0.5718   -1.4225 C   0  0  0  0  0
    3.4621   -0.6910   -1.0434 C   0  0  0  0  0
    3.1377   -0.9913    0.2991 C   0  0  0  0  0
    2.6606   -2.4113    0.5981 C   0  0  0  0  0
    3.4132   -3.1530    1.6971 C   0  0  0  0  0
    2.7812   -3.5988    2.8694 C   0  0  0  0  0
    3.4848   -4.3293    3.8291 C   0  0  0  0  0
    4.8311   -4.6304    3.6279 C   0  0  0  0  0
    5.4750   -4.1931    2.4741 C   0  0  0  0  0
    4.7749   -3.4592    1.5170 C   0  0  0  0  0
    1.2404   -2.3762    0.8218 O   0  0  0  0  0
    0.5720   -3.4197    0.1011 C   0  0  0  0  0
   -0.9409   -3.3457    0.3509 C   0  0  0  0  0
   -1.7008   -4.4417   -0.2856 N   0  0  0  0  0
   -3.1041   -4.3841    0.1315 C   0  0  0  0  0
   -1.6194   -4.3938   -1.7471 C   0  0  0  0  0
    2.7638    0.8089    3.2140 H   0  0  0  0  0
    3.7103   -0.6830    3.2228 H   0  0  0  0  0
    1.9610   -0.6985    2.8243 H   0  0  0  0  0
    3.8384    2.0997    1.5945 H   0  0  0  0  0
    4.4174    2.5527   -0.7520 H   0  0  0  0  0
    4.1597    0.7748   -2.4611 H   0  0  0  0  0
    3.3598   -1.4518   -1.8150 H   0  0  0  0  0
    2.8498   -3.0090   -0.3062 H   0  0  0  0  0
    1.7296   -3.3791    3.0429 H   0  0  0  0  0
    2.9799   -4.6679    4.7296 H   0  0  0  0  0
    5.3755   -5.2063    4.3713 H   0  0  0  0  0
    6.5255   -4.4278    2.3161 H   0  0  0  0  0
    5.2942   -3.1295    0.6190 H   0  0  0  0  0
    0.9567   -4.3927    0.4291 H   0  0  0  0  0
    0.7832   -3.2903   -0.9652 H   0  0  0  0  0
   -1.3156   -2.3650    0.0298 H   0  0  0  0  0
   -1.0934   -3.3823    1.4377 H   0  0  0  0  0
   -3.1883   -4.4800    1.2189 H   0  0  0  0  0
   -3.6682   -5.2191   -0.2987 H   0  0  0  0  0
   -3.5875   -3.4483   -0.1735 H   0  0  0  0  0
   -0.5983   -4.5844   -2.0923 H   0  0  0  0  0
   -1.9504   -3.4293   -2.1485 H   0  0  0  0  0
   -2.2355   -5.1818   -2.1947 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  8 15  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  2  0  0  0
 13 32  1  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
orphenadrine

>  <PubChem CID>
4601

>  <Formula>
C18H23NO

>  <Molecular Weight>
269.388000

>  <IUPAC Name>
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine

>  <XlogP>
3.800

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C

>  <Isomeric SMILES>
CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C

>  <InChI Std. ID>
InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3

>  <InChI Key>
QVYRGXJJSLMXQH-UHFFFAOYSA-N

