
 61-49-4

 27 28  0  0  0  0  0  0  0  0999 V2000
    3.6007   -0.9930    2.7327 C   0  0  0  0  0
    3.8000   -0.4791    1.3839 N   0  0  0  0  0
    4.3080    0.8991    1.4191 C   0  0  0  0  0
    4.4977    1.4469   -0.0023 C   0  0  0  0  0
    5.0225    2.8496   -0.0023 C   0  0  0  0  0
    4.2688    4.0077   -0.0116 C   0  0  0  0  0
    5.1228    5.0769   -0.0098 N   0  0  0  0  0
    6.4281    4.6449    0.0006 C   0  0  0  0  0
    7.6213    5.3776    0.0040 C   0  0  0  0  0
    8.8217    4.6613    0.0126 C   0  0  0  0  0
    8.8256    3.2686    0.0193 C   0  0  0  0  0
    7.6230    2.5521    0.0170 C   0  0  0  0  0
    6.3978    3.2502    0.0060 C   0  0  0  0  0
    3.2415   -2.0252    2.6791 H   0  0  0  0  0
    2.8564   -0.4054    3.2795 H   0  0  0  0  0
    4.5383   -0.9995    3.2975 H   0  0  0  0  0
    2.9118   -0.4991    0.8831 H   0  0  0  0  0
    5.2675    0.9256    1.9508 H   0  0  0  0  0
    3.6084    1.5423    1.9680 H   0  0  0  0  0
    3.5408    1.4219   -0.5401 H   0  0  0  0  0
    5.1842    0.8000   -0.5630 H   0  0  0  0  0
    3.1977    4.1598   -0.0213 H   0  0  0  0  0
    4.8425    6.0477   -0.0174 H   0  0  0  0  0
    7.6218    6.4626   -0.0017 H   0  0  0  0  0
    9.7660    5.2005    0.0135 H   0  0  0  0  0
    9.7698    2.7302    0.0251 H   0  0  0  0  0
    7.6377    1.4661    0.0217 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5 13  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 13  2  0  0  0
 12 27  1  0  0  0
M  END

>  <Chemical Name>
61-49-4

>  <PubChem CID>
6088

>  <Formula>
C11H14N2

>  <Molecular Weight>
174.247000

>  <IUPAC Name>
2-(1H-indol-3-yl)-N-methylethanamine

>  <XlogP>
2.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CNCCC1=CNC2=CC=CC=C21

>  <Isomeric SMILES>
CNCCC1=CNC2=CC=CC=C21

>  <InChI Std. ID>
InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3

>  <InChI Key>
NCIKQJBVUNUXLW-UHFFFAOYSA-N

