
 Brolamfetamine

 31 31  0  0  0  0  0  0  0  0999 V2000
    5.1283   -0.9689   -2.5925 C   0  0  0  0  0
    3.8652   -0.1721   -2.2591 C   0  0  0  0  0
    3.1290   -0.7239   -1.0188 C   0  0  0  0  0
    2.5528   -2.1123   -1.2164 C   0  0  0  0  0
    3.2863   -3.2247   -0.7619 C   0  0  0  0  0
    2.8110   -4.5252   -0.9452 C   0  0  0  0  0
    1.5641   -4.7049   -1.5532 C   0  0  0  0  0
    0.8234   -3.6088   -2.0102 C   0  0  0  0  0
    1.3136   -2.3100   -1.8523 C   0  0  0  0  0
    0.6696   -1.1763   -2.2723 O   0  0  0  0  0
   -0.6079   -1.3326   -2.8786 C   0  0  0  0  0
    0.8311   -6.4405   -1.8112 Br  0  0  0  0  0
    3.4841   -5.6398   -0.5202 O   0  0  0  0  0
    4.9050   -5.5480   -0.5342 C   0  0  0  0  0
    4.2614    1.2271   -2.0385 N   0  0  0  0  0
    5.6772   -0.5072   -3.4212 H   0  0  0  0  0
    4.8816   -1.9891   -2.9033 H   0  0  0  0  0
    5.8050   -1.0292   -1.7327 H   0  0  0  0  0
    3.2008   -0.1975   -3.1307 H   0  0  0  0  0
    2.3144   -0.0446   -0.7330 H   0  0  0  0  0
    3.8052   -0.7304   -0.1529 H   0  0  0  0  0
    4.2316   -3.0504   -0.2560 H   0  0  0  0  0
   -0.1319   -3.7959   -2.4889 H   0  0  0  0  0
   -1.3200   -1.7961   -2.1877 H   0  0  0  0  0
   -0.5335   -1.9000   -3.8121 H   0  0  0  0  0
   -0.9855   -0.3355   -3.1243 H   0  0  0  0  0
    5.3056   -6.5615   -0.4364 H   0  0  0  0  0
    5.2662   -4.9647    0.3182 H   0  0  0  0  0
    5.2730   -5.1328   -1.4790 H   0  0  0  0  0
    4.8529    1.2937   -1.2112 H   0  0  0  0  0
    3.4302    1.7833   -1.8391 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2 15  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  7  2  0  0  0
  6 13  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
 13 14  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
Brolamfetamine

>  <PubChem CID>
62065

>  <Formula>
C11H16BrNO2

>  <Molecular Weight>
274.158000

>  <IUPAC Name>
1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CC1=CC(=C(C=C1OC)Br)OC)N

>  <Isomeric SMILES>
CC(CC1=CC(=C(C=C1OC)Br)OC)N

>  <InChI Std. ID>
InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3

>  <InChI Key>
FXMWUTGUCAKGQL-UHFFFAOYSA-N

