-ISIS-  08091621332D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.6833    0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
>  <ID> (BBL000395)
BBL000395

>  <SALTDATA> (BBL000395)
HCl

>  <Rotatable_Bonds> (BBL000395)
3

>  <logP> (BBL000395)
1.672

>  <PSA> (BBL000395)
25.17

>  <H_Donors> (BBL000395)
1

>  <H_Acceptors> (BBL000395)
1

>  <Number_of_rings> (BBL000395)
1

>  <NAME> (BBL000395)
N-[(5-methylfuran-2-yl)methyl]ethanamine

>  <Mol_Weight> (BBL000395)
139.20

>  <Mol_Formula> (BBL000395)
C8H13NO

>  <Smiles> (BBL000395)
CCNCc1ccc(o1)C

>  <CAS_Number> (BBL000395)
175915-12-5

>  <Alternative_identifier> (BBL000395)
MFCD06740630

$$$$