
 CHEMBL3751914

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.3350   -0.1998   -0.6508 C   0  0  0  0  0
    2.7136   -0.1016    0.0118 C   0  0  0  0  0
    3.6930   -1.0337   -0.7019 C   0  0  0  0  0
    4.3694   -0.5577   -1.8449 C   0  0  0  0  0
    5.3142   -1.3360   -2.5011 C   0  0  0  0  0
    5.5863   -2.6194   -2.0431 C   0  0  0  0  0
    4.9022   -3.1516   -0.9415 C   0  0  0  0  0
    5.1804   -4.4636   -0.5241 C   0  0  0  0  0
    4.5040   -5.0360    0.5500 C   0  0  0  0  0
    3.5384   -4.3010    1.2210 C   0  0  0  0  0
    3.2580   -2.9898    0.8245 C   0  0  0  0  0
    3.9318   -2.3713   -0.2581 C   0  0  0  0  0
    3.1316    1.3187    0.0230 N   0  0  0  0  0
    4.3419    1.5150    0.8241 C   0  0  0  0  0
    4.6256    2.9721    0.9366 C   0  0  0  0  0
    4.8855    3.7594    2.0376 C   0  0  0  0  0
    5.1357    5.0881    1.5893 C   0  0  0  0  0
    5.0107    5.0755    0.1992 C   0  0  0  0  0
    4.6994    3.7872   -0.1691 N   0  0  0  0  0
    5.1966    6.2189   -0.5842 C   0  0  0  0  0
    5.5295    7.4042    0.0767 C   0  0  0  0  0
    5.6625    7.4454    1.4662 C   0  0  0  0  0
    5.4577    6.2973    2.2461 C   0  0  0  0  0
    5.6087    6.2635    3.6096 O   0  0  0  0  0
    5.2192    7.4496    4.2918 C   0  0  0  0  0
    0.6011    0.4226   -0.1260 H   0  0  0  0  0
    0.9623   -1.2304   -0.6326 H   0  0  0  0  0
    1.3624    0.1229   -1.6982 H   0  0  0  0  0
    2.6016   -0.3998    1.0594 H   0  0  0  0  0
    4.1709    0.4472   -2.2136 H   0  0  0  0  0
    5.8422   -0.9399   -3.3636 H   0  0  0  0  0
    6.3352   -3.2108   -2.5652 H   0  0  0  0  0
    5.9299   -5.0579   -1.0430 H   0  0  0  0  0
    4.7278   -6.0546    0.8551 H   0  0  0  0  0
    2.9976   -4.7440    2.0533 H   0  0  0  0  0
    2.4838   -2.4659    1.3773 H   0  0  0  0  0
    2.3884    1.8633    0.4622 H   0  0  0  0  0
    5.2098    1.0331    0.3608 H   0  0  0  0  0
    4.2177    1.0918    1.8280 H   0  0  0  0  0
    4.9105    3.4243    3.0666 H   0  0  0  0  0
    4.5332    3.4722   -1.1156 H   0  0  0  0  0
    5.1016    6.1900   -1.6647 H   0  0  0  0  0
    5.6992    8.3085   -0.5037 H   0  0  0  0  0
    5.9517    8.3858    1.9242 H   0  0  0  0  0
    5.1779    7.2198    5.3609 H   0  0  0  0  0
    4.2229    7.7832    3.9812 H   0  0  0  0  0
    5.9600    8.2431    4.1553 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 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 19  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 23  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
 22 44  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 45  1  0  0  0
 25 46  1  0  0  0
 25 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3751914

>  <PubChem CID>
57385839

>  <Formula>
C22H22N2O

>  <Molecular Weight>
330.431000

>  <IUPAC Name>
(1R)-N-[(4-methoxy-1H-indol-2-yl)methyl]-1-naphthalen-1-ylethanamine

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=C(N3)C=CC=C4OC

>  <Isomeric SMILES>
C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=CC4=C(N3)C=CC=C4OC

>  <InChI Std. ID>
InChI=1S/C22H22N2O/c1-15(18-10-5-8-16-7-3-4-9-19(16)18)23-14-17-13-20-21(24-17)11-6-12-22(20)25-2/h3-13,15,23-24H,14H2,1-2H3/t15-/m1/s1

>  <InChI Key>
RGZXNHCOZIOFAP-OAHLLOKOSA-N

