null
  CDK     0224162151
null
 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12  7  1  0  0  0  0 
 10 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
  9 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
  8 17  1  0  0  0  0 
  6 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:91764

> <NAME>
1-(2-fluoro-3,4-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol

> <STAR>
2

> <FORMULA>
C13H20FNO3

> <MASS>
257.302

> <MONOISOTOPIC_MASS>
257.14272

> <CHARGE>
0

> <SMILES>
CC(C)NCC(C1=C(C(=C(C=C1)OC)OC)F)O

> <INCHI>
InChI=1S/C13H20FNO3/c1-8(2)15-7-10(16)9-5-6-11(17-3)13(18-4)12(9)14/h5-6,8,10,15-16H,7H2,1-4H3

> <INCHIKEY>
YRAGSLSFEOICOW-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-1648

$$$$