(1R)-1-(2-methoxy-5-methylphenyl)ethan-1-amine

• ChemBase ID: 280763
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(c(ccc(c1)C)OC)[C@H](N)C
• Canonical SMILES: COc1ccc(cc1[C@H](N)C)C
• InChI: InChI=1S/C10H15NO/c1-7-4-5-10(12-3)9(6-7)8(2)11/h4-6,8H,11H2,1-3H3/t8-/m1/s1
• InChIKey: BIWQIGJYBOPFLL-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(2-methoxy-5-methylphenyl)ethan-1-amine
• IUPAC Traditional name: (1R)-1-(2-methoxy-5-methylphenyl)ethanamine
• Synonyms: (1R)-1-(2-methoxy-5-methylphenyl)ethanamine

Database IDs

• MDL Number: MFCD09414756
• PubChem SID: 180666294
• PubChem CID: 7047665

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0822736
• LogD (pH = 7.4): 0.061656967
• Log P: 1.8713394
• Molar Refractivity: 50.4546 cm^3
• Polarizability: 19.83226 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.821

Product Information

• Purity: 95%