(2R)-1-(4-methoxyphenyl)propan-2-amine hydrochloride

• ChemBase ID: 172879
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: c1c(ccc(c1)C[C@@H](C)N)OC.Cl
• Canonical SMILES: COc1ccc(cc1)C[C@H](N)C.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-8(11)7-9-3-5-10(12-2)6-4-9;/h3-6,8H,7,11H2,1-2H3;1H/t8-;/m1./s1
• InChIKey: VSHZXOLHFRVZND-DDWIOCJRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1-(4-methoxyphenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: p-methoxyamphetamine hydrochloride
• Synonyms: (αR)-4-Methoxy-α-methyl-benzeneethanamine Hydrochloride; (R)-4-Methoxy-α-methyl-benzeneethanamine Hydrochloride; (R)-2-(4-Methoxyphenyl)-1-methyl-ethylamine Hydrochloride; para-Methoxyamphetamine Hydrochloride

Database IDs

• CAS Number: 50505-80-1
• PubChem SID: 164228789
• PubChem CID: 12495253

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3732708
• LogD (pH = 7.4): -0.8476529
• Log P: 1.6465793
• Molar Refractivity: 50.1684 cm^3
• Polarizability: 19.835405 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: White Solid
• Melting Point: >212°C (dec.)

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - M260920

Amphetamine (A634240) analogue, a known hallucinogen,

REFERENCES

• Tseng, L. et al. et al.: J. Pharmacol. Exp. Ther. 187, 263 (1976)