(1R)-1-(4-ethoxyphenyl)ethan-1-amine

• ChemBase ID: 280639
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(ccc(cc1)OCC)[C@H](N)C
• Canonical SMILES: CCOc1ccc(cc1)[C@H](N)C
• InChI: InChI=1S/C10H15NO/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3/t8-/m1/s1
• InChIKey: LQISONQSSGPXMA-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(4-ethoxyphenyl)ethan-1-amine
• IUPAC Traditional name: (1R)-1-(4-ethoxyphenyl)ethanamine
• Synonyms: (1R)-1-(4-ethoxyphenyl)ethanamine

Database IDs

• CAS Number: 856758-56-0
• MDL Number: MFCD06761875
• PubChem SID: 180666170
• PubChem CID: 793474

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2912616
• LogD (pH = 7.4): -0.5333176
• Log P: 1.714726
• Molar Refractivity: 50.162 cm^3
• Polarizability: 19.912262 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.851

Product Information

• Purity: 95%