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Methamphetamine

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
image of chemical
 

General Information

Common Name: Methamphetamine
IUPAC Name: (2S)-N-methyl-1-phenylpropan-2-amine
Molecular Formula: C10H15N
SMILES: C[C@@H](CC1=CC=CC=C1)NC
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
Cas No: 537-46-2

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 1
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 10836
Zinc: ZINC6021043
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 149.23
Mass (g/mol) 149.12
Molar Refractivity 48.63
Net Charge 1
HBD 1
HBA 1
Rt Bonds 3
Rings 1
TPSA 12.03
Hetero Atoms 1
Heavy Atoms 11
Aromatic Heavy Atoms 6
Melting Point (°C) 170-2
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.40
LogP 1.837
iLOGP 2.46
XLOGP3 2.07
WLOGP 1.84
MLOGP 2.49
ESOL Log S -2.27
ESOL Solubility (mg/ml) 0.792
ESOL Solubility (mol/l) 0.005
ESOL Class: esol_class Soluble
Ali Log S -1.95
Ali Solubility (mg/ml) 1.67
Ali Solubility (mol/l) 0.01
Ali Class Very soluble
Silicos-IT LogSw -3.66
Silicos-IT Solubility (mg/ml) 0.03
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 1
PgP Substrate 0
Log Kp (cm/s) -5.74
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.601
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 1
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.318
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 0
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0