1577
  Mrv0541 02231215342D          

 11 11  0  0  1  0            999 V2000
    3.0791    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D3052

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1

> <INCHI_KEY>
MYWUZJCMWCOHBA-VIFPVBQESA-N

> <FORMULA>
C10H15N

> <MOLECULAR_WEIGHT>
149.2328

> <EXACT_MASS>
149.120449485

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.039597610039042

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
2.23

> <JCHEM_LOGP>
2.2368308753333324

> <ALOGPS_LOGS>
-2.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.20988414728296

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
48.47980000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.28e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
meth

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D3052

> <NAME>
Methamphetamine

> <CAS>
537-46-2

> <SYNONYMS>
(+ )-methylamphetamine; (+)-(S)-deoxyephedrine; (+)-(S)-N-alpha-dimethylphenethylamine; (+)-(S)-N-α-dimethylphenethylamine; (+)-2-(N-Methylamino)-1-phenylpropane; (+)-methamphetamine; (+)-methylamphetamine; (+)-N,alpha-dimethyl-beta-phenylethylamine; (+)-N,alpha-dimethylphenethylamine; (+)-N-methylamphetamine; (2S)-N-methyl-1-phenylpropan-2-amine; (AlphaS)-N,alpha-dimethylbenzeneethanamine; (S)-(+)-deoxyephedrine; (S)-(+)-methamphetamine; (S)-(+)-N,alpha,dimethylphenethylamine; (S)-methamphetamine; (S)-methylamphetamine; (S)-N,alpha-dimethylbenzeneethanamine; (S)-N,alpha-dimethylbenzeneethanoamine; (S)-N,α-dimethylbenzeneethanamine; (αS)-N,α-dimethylbenzeneethanamine; 1-Phenyl-2-methylaminopropane; 2S-(+)-Methamphetamine; D-(S)-Methamphetamine; D-1-Phenyl-2-methylaminopropane; D-Deoxyephedrine; D-Desoxyephedrine; D-Methamphetamine; D-Methylamphetamine; D-N,alpha-Dimethylphenethylamine; D-N-Methylamphetamine; D-Phenylisopropylmethylamine; Desoxyephedrine hydrochloride; Desoxyn; Dextromethamphetamine; Ice; L-Methamphetamine; Métamfétamine; Metamfetaminum; Metamphetamine; Metanfetamina; Meth; Methamphetaminum; Methyl-beta-phenylisopropylamine; methyl-β-phenylisopropylamine; Methylamphetamine; N-Methyl-1-phenyl-2-propanamine; N-Methyl-beta-phenylisopropylamine; N-Methylamphetamine; S-(+)-Methamphetamine

> <TYPES>
Organic Compound; Amine; Drug; Adrenergic Uptake Inhibitor; Dopamine Agent; Adrenergic Agent; Central Nervous System Stimulant; Dopamine Uptake Inhibitor; Sympathomimetic; Metabolite; Synthetic Compound

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