Mrv1652312081619472D          

 14 13  0  0  1  0            999 V2000
   -1.1541    0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4397    0.7615    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2748    0.3490    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2748   -0.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9893   -0.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9893   -1.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2748   -2.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4397   -1.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4397   -0.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9893    0.7615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4397    1.5865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1541    1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2748    1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9928    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  3 10  1  6  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001572

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C11H17NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9,11,13H,1-3H3;1H/t9-,11-;/m0./s1

> <INCHI_KEY>
NTCYWJCEOILKNG-ROLPUNSJSA-N

> <FORMULA>
C11H18ClNO

> <MOLECULAR_WEIGHT>
215.72

> <EXACT_MASS>
215.1076919

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
20.550463684224983

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2S)-2-(dimethylamino)-1-phenylpropan-1-ol hydrochloride

> <ALOGPS_LOGP>
1.73

> <JCHEM_LOGP>
1.7008826656666665

> <ALOGPS_LOGS>
-1.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.88220555883537

> <JCHEM_PKA_STRONGEST_BASIC>
8.862630898806817

> <JCHEM_POLAR_SURFACE_AREA>
23.47

> <JCHEM_REFRACTIVITY>
54.982000000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.54e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-methylephedrine hydrochloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT001572

> <NAME>
DL-Methylephedrine hydrochloride

> <DRUG_DRUGBANK_ID>
DB11278

> <DRUG_NAME>
DL-Methylephedrine

> <CAS_NUMBER>
18760-80-0

> <UNII>
99214P83XM

$$$$