
 CHEMBL423597

 46 48  0  0  0  0  0  0  0  0999 V2000
    0.1204    0.8892    0.6181 C   0  0  0  0  0
    1.4711    0.4295    0.3310 N   0  0  0  0  0
    2.4959    1.4518    0.6097 C   0  0  0  0  0
    2.5315    1.9143    2.0616 C   0  0  0  0  0
    2.7424    1.0175    3.1194 C   0  0  0  0  0
    2.7487    1.4631    4.4434 C   0  0  0  0  0
    2.5388    2.8104    4.7284 C   0  0  0  0  0
    2.3243    3.7149    3.6913 C   0  0  0  0  0
    2.3220    3.2709    2.3675 C   0  0  0  0  0
    3.9063    0.9536    0.1459 C   0  0  0  0  0
    4.3900    1.4002   -1.2280 C   0  0  0  0  0
    4.9746    2.0308   -0.0055 C   0  0  0  0  0
    4.3945   -0.3739    0.6472 N   0  0  0  0  0
    3.9798   -1.5193   -0.1643 C   0  0  0  0  0
    4.5185   -2.8152    0.4031 C   0  0  0  0  0
    3.7785   -3.4800    1.3972 C   0  0  0  0  0
    4.2269   -4.6857    1.9321 C   0  0  0  0  0
    5.4221   -5.2384    1.4831 C   0  0  0  0  0
    6.1807   -4.5769    0.5139 C   0  0  0  0  0
    5.7469   -3.3566   -0.0170 C   0  0  0  0  0
    6.4357   -2.6419   -0.9633 O   0  0  0  0  0
    7.8288   -2.9102   -1.0684 C   0  0  0  0  0
   -0.5952    0.1327    0.2793 H   0  0  0  0  0
   -0.1126    1.8239    0.0978 H   0  0  0  0  0
   -0.0448    1.0212    1.6920 H   0  0  0  0  0
    1.5395    0.1933   -0.6557 H   0  0  0  0  0
    2.2503    2.3228   -0.0146 H   0  0  0  0  0
    2.8969   -0.0389    2.9080 H   0  0  0  0  0
    2.9158    0.7538    5.2487 H   0  0  0  0  0
    2.5395    3.1542    5.7588 H   0  0  0  0  0
    2.1552    4.7654    3.9121 H   0  0  0  0  0
    2.1468    3.9921    1.5726 H   0  0  0  0  0
    3.7285    2.0001   -1.8423 H   0  0  0  0  0
    5.0340    0.7449   -1.8034 H   0  0  0  0  0
    5.9987    1.7900    0.2562 H   0  0  0  0  0
    4.7109    3.0594    0.2139 H   0  0  0  0  0
    5.4112   -0.3881    0.7036 H   0  0  0  0  0
    4.3065   -1.4083   -1.2044 H   0  0  0  0  0
    2.8900   -1.6043   -0.2059 H   0  0  0  0  0
    2.8442   -3.0489    1.7535 H   0  0  0  0  0
    3.6414   -5.1926    2.6943 H   0  0  0  0  0
    5.7673   -6.1855    1.8891 H   0  0  0  0  0
    7.1020   -5.0453    0.1843 H   0  0  0  0  0
    8.0059   -3.8791   -1.5457 H   0  0  0  0  0
    8.3226   -2.8530   -0.0920 H   0  0  0  0  0
    8.2687   -2.1395   -1.7087 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3 10  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 32  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL423597

>  <PubChem CID>
10085946

>  <Formula>
C19H24N2O

>  <Molecular Weight>
296.414000

>  <IUPAC Name>
N-[(2-methoxyphenyl)methyl]-1-[methylamino(phenyl)methyl]cyclopropan-1-amine

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CNC(C1=CC=CC=C1)C2(CC2)NCC3=CC=CC=C3OC

>  <Isomeric SMILES>
CNC(C1=CC=CC=C1)C2(CC2)NCC3=CC=CC=C3OC

>  <InChI Std. ID>
InChI=1S/C19H24N2O/c1-20-18(15-8-4-3-5-9-15)19(12-13-19)21-14-16-10-6-7-11-17(16)22-2/h3-11,18,20-21H,12-14H2,1-2H3

>  <InChI Key>
AKWHRBSVVQXNOP-UHFFFAOYSA-N

