191
  Mrv0541 02231214302D          

 11 11  0  0  0  0            999 V2000
    3.7935    1.3943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6665    1.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.9058    0.0000 C   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
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00191

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(C)(N)CC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3

> <INCHI_KEY>
DHHVAGZRUROJKS-UHFFFAOYSA-N

> <FORMULA>
C10H15N

> <MOLECULAR_WEIGHT>
149.2328

> <EXACT_MASS>
149.120449485

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9994360491377374

> <JCHEM_AVERAGE_POLARIZABILITY>
17.874968045284582

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methyl-1-phenylpropan-2-amine

> <ALOGPS_LOGP>
2.32

> <JCHEM_LOGP>
2.0848271499999997

> <ALOGPS_LOGS>
-2.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.248513745149388

> <JCHEM_POLAR_SURFACE_AREA>
26.02

> <JCHEM_REFRACTIVITY>
48.34340000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.57e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00191

> <SECONDARY_ACCESSION_NUMBERS>
APRD00093

> <DRUG_GROUPS>
approved; illicit

> <GENERIC_NAME>
Phentermine

> <SYNONYMS>
alpha,alpha-Dimethylphenethylamine; Fentermina; Phentermine; Phentermine resin; Phenterminum

> <PRODUCTS>
Adipex-P; Fastin Cap 30mg; Ionamin; Lomaira; Phentermine; Phentermine HCL; Phentermine HCL C-IV; Phentermine HCl; Phentermine HCl C-IV; Phentermine Hydrochloride; Phentermine Resin ER; Phentermine hydrochloride; Phetermine Hydrochloride; Qsymia; Suprenza

> <INTERNATIONAL_BRANDS>
Dapex; Duromine; Fastin; Obenix; Obestin-30; Oby-trim; Phentercot; Phentride; Umi-Pex

> <SALTS>
Phentermine hydrochloride

$$$$