2-phenoxy-2-phenylethan-1-amine

• ChemBase ID: 808855
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: NCC(c1ccccc1)Oc1ccccc1
• Canonical SMILES: NCC(c1ccccc1)Oc1ccccc1
• InChI: InChI=1S/C14H15NO/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10,14H,11,15H2
• InChIKey: UGYLBIAQUSWTRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxy-2-phenylethan-1-amine
• IUPAC Traditional name: 2-phenoxy-2-phenylethanamine
• Synonyms: 2-PHENOXY-2-PHENYL-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.10363583
• LogD (pH = 7.4): 1.2050695
• Log P: 2.802831
• Molar Refractivity: 64.7538 cm^3
• Polarizability: 25.854782 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%