Mrv0541 01031411482D          

 12 12  0  0  0  0            999 V2000
    5.0518    0.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0518   -0.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3372    0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3372   -1.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6228    0.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6228   -0.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7663    0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4808    0.2189    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1952    0.6314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9097    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4808   -0.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9084   -1.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  1  0  0  0
  6 12  1  0  0  0  0
M  END
> <ID>
CHEBI:76833

> <NAME>
4-hydroxymethamphetamine

> <DEFINITION>
A phenolic compound, the structure of which is that of methamphetamine methyl-substituted at the 4-position of the phenyl ring.

> <STAR>
3

> <SYNONYM>
p-hydroxymethamphetamine; (+)-4-hydroxymethamphetamine

> <IUPAC_NAME>
4-[(2S)-2-(methylamino)propyl]phenol

> <FORMULA>
C10H15NO

> <MASS>
165.23220

> <MONOISOTOPIC_MASS>
165.11536

> <CHARGE>
0

> <SMILES>
CN[C@@H](C)Cc1ccc(O)cc1

> <INCHI>
InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m0/s1

> <INCHIKEY>
SBUQZKJEOOQSBV-QMMMGPOBSA-N

> <CAS_REGISTRY_NUMBER>
85482-67-3

> <REAXYS_REGISTRY_NUMBER>
3197899

> <PUBMED_CITATION>
16363483; 24349338; 6506759; 9210980

$$$$