2-(3-methoxyphenoxy)-2-phenylethan-1-amine

• ChemBase ID: 808882
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: NCC(c1ccccc1)Oc1cc(ccc1)OC
• Canonical SMILES: NCC(c1ccccc1)Oc1cccc(c1)OC
• InChI: InChI=1S/C15H17NO2/c1-17-13-8-5-9-14(10-13)18-15(11-16)12-6-3-2-4-7-12/h2-10,15H,11,16H2,1H3
• InChIKey: TWDKJNVZHLSTOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenoxy)-2-phenylethan-1-amine
• IUPAC Traditional name: 2-(3-methoxyphenoxy)-2-phenylethanamine
• Synonyms: 2-(3-METHOXY-PHENOXY)-2-PHENYL-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.26130697
• LogD (pH = 7.4): 1.0473988
• Log P: 2.6451597
• Molar Refractivity: 71.217 cm^3
• Polarizability: 28.338589 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%