
 N-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine

 40 41  0  0  0  0  0  0  0  0999 V2000
   -0.1715   -4.4570    5.8908 C   0  0  0  0  0
   -0.2363   -3.2488    5.0002 C   0  0  0  0  0
    0.3328   -2.0403    5.4299 C   0  0  0  0  0
    0.2626   -0.8994    4.6333 C   0  0  0  0  0
   -0.3889   -0.9542    3.4052 C   0  0  0  0  0
   -0.9676   -2.1493    2.9701 C   0  0  0  0  0
   -0.8771   -3.3067    3.7487 C   0  0  0  0  0
   -1.4540   -4.5038    3.4186 O   0  0  0  0  0
   -1.5052   -4.8921    2.0323 C   0  0  0  0  0
   -0.2550   -5.7334    1.7095 C   0  0  0  0  0
   -0.2186   -6.3066    0.2895 C   0  0  0  0  0
   -0.2937   -5.2514   -0.7248 N   0  0  0  0  0
   -0.3495   -5.8260   -2.0640 C   0  0  0  0  0
   -2.7952   -5.6719    1.8251 C   0  0  0  0  0
   -3.1449   -6.7516    2.6505 C   0  0  0  0  0
   -4.3070   -7.4847    2.4041 C   0  0  0  0  0
   -5.1342   -7.1471    1.3355 C   0  0  0  0  0
   -4.8046   -6.0719    0.5123 C   0  0  0  0  0
   -3.6430   -5.3399    0.7557 C   0  0  0  0  0
    0.4272   -4.2634    6.7885 H   0  0  0  0  0
    0.2927   -5.2975    5.3632 H   0  0  0  0  0
   -1.1780   -4.7418    6.2165 H   0  0  0  0  0
    0.8268   -1.9776    6.3989 H   0  0  0  0  0
    0.6997    0.0338    4.9769 H   0  0  0  0  0
   -0.4668   -0.0608    2.7914 H   0  0  0  0  0
   -1.5139   -2.1304    2.0324 H   0  0  0  0  0
   -1.5283   -4.0246    1.3695 H   0  0  0  0  0
   -0.1677   -6.5609    2.4260 H   0  0  0  0  0
    0.6391   -5.1173    1.8772 H   0  0  0  0  0
   -1.0408   -7.0193    0.1605 H   0  0  0  0  0
    0.7139   -6.8697    0.1649 H   0  0  0  0  0
    0.5283   -4.6504   -0.6523 H   0  0  0  0  0
   -0.4654   -5.0232   -2.7995 H   0  0  0  0  0
   -1.2074   -6.4969   -2.1748 H   0  0  0  0  0
    0.5671   -6.3737   -2.3017 H   0  0  0  0  0
   -2.5091   -7.0251    3.4897 H   0  0  0  0  0
   -4.5662   -8.3214    3.0474 H   0  0  0  0  0
   -6.0371   -7.7207    1.1421 H   0  0  0  0  0
   -5.4475   -5.8070   -0.3234 H   0  0  0  0  0
   -3.3894   -4.5155    0.0919 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  2  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 40  1  0  0  0
M  END

>  <Chemical Name>
N-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine

>  <PubChem CID>
6850813

>  <Formula>
C17H21NO

>  <Molecular Weight>
255.361000

>  <IUPAC Name>
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2

>  <Isomeric SMILES>
CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3

>  <InChI Key>
VHGCDTVCOLNTBX-UHFFFAOYSA-N

