
 CHEMBL3753325

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.3063   -0.3421   -0.1612 C   0  0  0  0  0
    1.0855    0.2233   -1.3529 C   0  0  0  0  0
    0.2901    0.0121   -2.6423 C   0  0  0  0  0
   -0.6488    0.9930   -3.0273 C   0  0  0  0  0
   -1.3397    0.8982   -4.2284 C   0  0  0  0  0
   -1.1246   -0.1932   -5.0611 C   0  0  0  0  0
   -0.2441   -1.2191   -4.6909 C   0  0  0  0  0
   -0.0760   -2.3256   -5.5401 C   0  0  0  0  0
    0.7649   -3.3792   -5.1906 C   0  0  0  0  0
    1.4491   -3.3391   -3.9851 C   0  0  0  0  0
    1.3053   -2.2363   -3.1370 C   0  0  0  0  0
    0.4669   -1.1427   -3.4639 C   0  0  0  0  0
    1.4058    1.6428   -1.0846 N   0  0  0  0  0
    2.3872    2.1606   -2.0371 C   0  0  0  0  0
    2.6933    3.5727   -1.6895 C   0  0  0  0  0
    3.7802    4.1680   -1.0902 C   0  0  0  0  0
    3.5795    5.5715   -1.0457 C   0  0  0  0  0
    4.3284    6.6749   -0.5837 C   0  0  0  0  0
    3.8080    7.9668   -0.7187 C   0  0  0  0  0
    2.5586    8.1714   -1.2980 C   0  0  0  0  0
    1.7914    7.0937   -1.7576 C   0  0  0  0  0
    2.3290    5.8095   -1.6198 C   0  0  0  0  0
    1.8048    4.5867   -1.9796 N   0  0  0  0  0
    5.3155    3.3015   -0.4384 Br  0  0  0  0  0
    0.8867   -0.2530    0.7644 H   0  0  0  0  0
    0.0831   -1.4059   -0.3048 H   0  0  0  0  0
   -0.6473    0.1778   -0.0129 H   0  0  0  0  0
    2.0410   -0.3098   -1.4077 H   0  0  0  0  0
   -0.8248    1.8566   -2.3875 H   0  0  0  0  0
   -2.0395    1.6772   -4.5179 H   0  0  0  0  0
   -1.6667   -0.2450   -6.0029 H   0  0  0  0  0
   -0.6108   -2.3787   -6.4862 H   0  0  0  0  0
    0.8766   -4.2314   -5.8556 H   0  0  0  0  0
    2.0953   -4.1648   -3.6976 H   0  0  0  0  0
    1.8533   -2.2632   -2.1996 H   0  0  0  0  0
    1.8143    1.7142   -0.1528 H   0  0  0  0  0
    2.0013    2.1325   -3.0623 H   0  0  0  0  0
    3.3025    1.5593   -2.0194 H   0  0  0  0  0
    5.3047    6.5272   -0.1318 H   0  0  0  0  0
    4.3884    8.8167   -0.3679 H   0  0  0  0  0
    2.1726    9.1840   -1.3956 H   0  0  0  0  0
    0.8181    7.2611   -2.2075 H   0  0  0  0  0
    0.8971    4.4471   -2.3996 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 23  1  0  0  0
 16 17  1  0  0  0
 16 24  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
 21 42  1  0  0  0
 22 23  1  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3753325

>  <PubChem CID>
57385590

>  <Formula>
C21H19BrN2

>  <Molecular Weight>
379.301000

>  <IUPAC Name>
(1R)-N-[(3-bromo-1H-indol-2-yl)methyl]-1-naphthalen-1-ylethanamine

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=C(C4=CC=CC=C4N3)Br

>  <Isomeric SMILES>
C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=C(C4=CC=CC=C4N3)Br

>  <InChI Std. ID>
InChI=1S/C21H19BrN2/c1-14(16-11-6-8-15-7-2-3-9-17(15)16)23-13-20-21(22)18-10-4-5-12-19(18)24-20/h2-12,14,23-24H,13H2,1H3/t14-/m1/s1

>  <InChI Key>
PAUBIPXMVNSMSE-CQSZACIVSA-N

