
 CHEMBL543875

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.1438    0.1470    0.1139 C   0  0  0  0  0
    2.6140    0.1481   -0.3277 C   0  0  0  0  0
    2.7835   -0.5208   -1.6918 C   0  0  0  0  0
    3.4436   -1.7687   -1.6991 C   0  0  0  0  0
    3.6319   -2.4794   -2.8783 C   0  0  0  0  0
    3.1567   -1.9625   -4.0772 C   0  0  0  0  0
    2.4987   -0.7258   -4.1183 C   0  0  0  0  0
    2.0299   -0.2356   -5.3488 C   0  0  0  0  0
    1.3798    0.9929   -5.4339 C   0  0  0  0  0
    1.1986    1.7514   -4.2877 C   0  0  0  0  0
    1.6592    1.2750   -3.0570 C   0  0  0  0  0
    2.3095    0.0236   -2.9262 C   0  0  0  0  0
    3.1647    1.5099   -0.2513 N   0  0  0  0  0
    4.6181    1.5220   -0.4108 C   0  0  0  0  0
    5.1043    2.9114   -0.1938 C   0  0  0  0  0
    6.0075    3.4341    0.7094 C   0  0  0  0  0
    6.0853    4.8372    0.4901 C   0  0  0  0  0
    6.8072    5.8839    1.0951 C   0  0  0  0  0
    6.6357    7.1926    0.6292 C   0  0  0  0  0
    5.7637    7.4637   -0.4235 C   0  0  0  0  0
    5.0398    6.4400   -1.0424 C   0  0  0  0  0
    5.2221    5.1379   -0.5631 C   0  0  0  0  0
    4.6513    3.9540   -0.9666 N   0  0  0  0  0
    1.0480    0.5167    1.1414 H   0  0  0  0  0
    0.7321   -0.8686    0.0895 H   0  0  0  0  0
    0.5070    0.7727   -0.5184 H   0  0  0  0  0
    3.1403   -0.4532    0.4267 H   0  0  0  0  0
    3.8178   -2.1995   -0.7721 H   0  0  0  0  0
    4.1443   -3.4375   -2.8629 H   0  0  0  0  0
    3.3081   -2.5365   -4.9888 H   0  0  0  0  0
    2.1689   -0.8141   -6.2598 H   0  0  0  0  0
    1.0215    1.3554   -6.3933 H   0  0  0  0  0
    0.6993    2.7149   -4.3429 H   0  0  0  0  0
    1.5055    1.9105   -2.1894 H   0  0  0  0  0
    2.9536    1.8959    0.6689 H   0  0  0  0  0
    4.9122    1.2007   -1.4165 H   0  0  0  0  0
    5.0955    0.8513    0.3138 H   0  0  0  0  0
    6.5497    2.8712    1.4577 H   0  0  0  0  0
    7.4867    5.6803    1.9170 H   0  0  0  0  0
    7.1883    8.0041    1.0957 H   0  0  0  0  0
    5.6431    8.4874   -0.7701 H   0  0  0  0  0
    4.3616    6.6530   -1.8619 H   0  0  0  0  0
    3.9633    3.8564   -1.7020 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 23  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 22  1  0  0  0
 17 18  2  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>
CHEMBL543875

>  <PubChem CID>
9835971

>  <Formula>
C21H20N2

>  <Molecular Weight>
300.405000

>  <IUPAC Name>
N-(1H-indol-2-ylmethyl)-1-naphthalen-1-ylethanamine

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=CC=CC=C4N3

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=CC=CC=C4N3

>  <InChI Std. ID>
InChI=1S/C21H20N2/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18/h2-13,15,22-23H,14H2,1H3

>  <InChI Key>
JLPWXRZETODYFC-UHFFFAOYSA-N

