Mrv1652303192001463D          

 17 18  0  0  0  0            999 V2000
   -0.7993   -1.3297   -2.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7644    1.3861   -1.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0119    0.2593    1.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6772   -1.0509    1.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4959    1.2369    0.9314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4607    1.0628    1.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8465   -1.3566    0.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6615    0.9202   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1014    1.3047    1.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6184   -0.2611    1.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4312   -0.7576   -1.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0513   -0.0780    0.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -0.9248   -1.1810 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3063   -0.3748   -0.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5075    0.1167    1.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5943    0.1331   -0.4698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4631   -0.7741    0.9298 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 14  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000610

> <DATABASE_NAME>
CDB

> <SMILES>
C[C@@H](CC1=CC=CC=C1)N(C)CC1=CC=CO1

> <INCHI_IDENTIFIER>
InChI=1S/C15H19NO/c1-13(11-14-7-4-3-5-8-14)16(2)12-15-9-6-10-17-15/h3-10,13H,11-12H2,1-2H3/t13-/m0/s1

> <INCHI_KEY>
DLGIIZAHQPTVCJ-ZDUSSCGKSA-N

> <FORMULA>
C15H19NO

> <MOLECULAR_WEIGHT>
229.323

> <EXACT_MASS>
229.146664236

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
25.62522852436846

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[(furan-2-yl)methyl](methyl)[(2S)-1-phenylpropan-2-yl]amine

> <ALOGPS_LOGP>
3.61

> <JCHEM_LOGP>
3.4045985739999995

> <ALOGPS_LOGS>
-3.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.760147860837167

> <JCHEM_POLAR_SURFACE_AREA>
16.380000000000003

> <JCHEM_REFRACTIVITY>
70.77800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.34e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(furan-2-ylmethyl)(methyl)[(2S)-1-phenylpropan-2-yl]amine

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000610

> <GENERIC_NAME>
Furfurylmethylamphetamine

$$$$