Ketcher 06191619362D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
   -0.1794    0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1794   -0.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0454    0.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6867    0.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0454   -1.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9115    0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5526    0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9115   -0.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5526   -0.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186    0.7477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  5  8  1  0     0  0
  7  9  1  0     0  0
  7 10  1  0     0  0
  6  8  2  0     0  0
M  END
> <ID>
CHEBI:132233

> <NAME>
1-phenylpropan-2-amine

> <DEFINITION>
A primary amine that is isopropylamine in which a hydrogen attached to one of the methyl groups has been replaced by a phenyl group.

> <STAR>
3

> <IUPAC_NAME>
1-phenylpropan-2-amine

> <FORMULA>
C9H13N

> <MASS>
135.207

> <MONOISOTOPIC_MASS>
135.10480

> <CHARGE>
0

> <SMILES>
C=1(C=CC=CC1)CC(C)N

> <INCHI>
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3

> <INCHIKEY>
KWTSXDURSIMDCE-UHFFFAOYSA-N

$$$$