methyl[1-(4-methylphenyl)propan-2-yl]amine

• ChemBase ID: 125448
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: c1cc(C)ccc1CC(C)NC
• Canonical SMILES: CNC(Cc1ccc(cc1)C)C
• InChI: InChI=1S/C11H17N/c1-9-4-6-11(7-5-9)8-10(2)12-3/h4-7,10,12H,8H2,1-3H3
• InChIKey: GAIWFPOJOHUEBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(4-methylphenyl)propan-2-yl]amine
• IUPAC Traditional name: 4-methylmethamphetamine
• Synonyms: 4-Methylmethamphetamine; methyl[1-(4-methylphenyl)propan-2-yl]amine

Database IDs

• MDL Number: MFCD09886619
• PubChem SID: 162219798
• PubChem CID: 13803306
• Chemspider ID: 23900071
• Wikipedia Title: 4-Methylmethamphetamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4779329
• LogD (pH = 7.4): 0.060617186
• Log P: 2.7502522
• Molar Refractivity: 53.521 cm^3
• Polarizability: 20.975857 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.387

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled (Potentially controlled by Federal Analog Act if intended for Human Consumption)

Product Information

• Purity: 95%