
 CHEMBL357034

 39 40  0  0  0  0  0  0  0  0999 V2000
    1.8168   -0.4256   -1.1934 C   0  0  0  0  0
    2.6705   -0.1908    0.0715 C   0  0  0  0  0
    1.7814   -0.3555    1.3232 C   0  0  0  0  0
    3.7334   -1.3125    0.1180 C   0  0  0  0  0
    3.2635    1.2304    0.0422 C   0  0  0  0  0
    2.4011    2.3508   -0.0022 C   0  0  0  0  0
    2.9103    3.6688   -0.0166 C   0  0  0  0  0
    4.2914    3.8416    0.0079 C   0  0  0  0  0
    5.1822    2.7676    0.0464 C   0  0  0  0  0
    4.6460    1.4720    0.0637 C   0  0  0  0  0
    4.5326    5.1939   -0.0095 N   0  0  0  0  0
    3.3518    5.8849   -0.0436 C   0  0  0  0  0
    2.3149    4.9713   -0.0506 C   0  0  0  0  0
    0.8524    5.2936   -0.0832 C   0  0  0  0  0
    0.3123    5.3948   -1.5168 C   0  0  0  0  0
   -1.1103    5.7614   -1.5127 N   0  0  0  0  0
   -1.6264    5.8523   -2.8720 C   0  0  0  0  0
    2.4140   -0.2899   -2.1028 H   0  0  0  0  0
    0.9655    0.2612   -1.2531 H   0  0  0  0  0
    1.4089   -1.4431   -1.2111 H   0  0  0  0  0
    0.9307    0.3346    1.3218 H   0  0  0  0  0
    2.3536   -0.1708    2.2401 H   0  0  0  0  0
    1.3706   -1.3701    1.3854 H   0  0  0  0  0
    4.3879   -1.2850   -0.7610 H   0  0  0  0  0
    3.2624   -2.3027    0.1375 H   0  0  0  0  0
    4.3606   -1.2375    1.0140 H   0  0  0  0  0
    1.3231    2.2165   -0.0204 H   0  0  0  0  0
    6.2563    2.9206    0.0661 H   0  0  0  0  0
    5.3580    0.6513    0.0974 H   0  0  0  0  0
    5.4526    5.6110    0.0055 H   0  0  0  0  0
    3.3475    6.9664   -0.0579 H   0  0  0  0  0
    0.6856    6.2422    0.4441 H   0  0  0  0  0
    0.2945    4.5292    0.4725 H   0  0  0  0  0
    0.4469    4.4311   -2.0235 H   0  0  0  0  0
    0.8887    6.1445   -2.0738 H   0  0  0  0  0
   -1.2235    6.6639   -1.0513 H   0  0  0  0  0
   -1.5515    4.8901   -3.3891 H   0  0  0  0  0
   -1.0971    6.6144   -3.4534 H   0  0  0  0  0
   -2.6852    6.1279   -2.8418 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7 13  1  0  0  0
  7  8  2  0  0  0
  8 11  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 28  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 13  2  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL357034

>  <PubChem CID>
10376578

>  <Formula>
C15H22N2

>  <Molecular Weight>
230.355000

>  <IUPAC Name>
2-(5-tert-butyl-1H-indol-3-yl)-N-methylethanamine

>  <XlogP>
3.200

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C)(C)C1=CC2=C(C=C1)NC=C2CCNC

>  <Isomeric SMILES>
CC(C)(C)C1=CC2=C(C=C1)NC=C2CCNC

>  <InChI Std. ID>
InChI=1S/C15H22N2/c1-15(2,3)12-5-6-14-13(9-12)11(10-17-14)7-8-16-4/h5-6,9-10,16-17H,7-8H2,1-4H3

>  <InChI Key>
BEPGJIBRVXQULF-UHFFFAOYSA-N

