2-(naphthalen-1-yloxy)-2-phenylethan-1-amine

• ChemBase ID: 808890
• Molecular Formular: C18H17NO
• Molecular Mass: 263.33368
• Monoisotopic Mass: 263.13101417
• SMILES: NCC(c1ccccc1)Oc1c2ccccc2ccc1
• Canonical SMILES: NCC(c1ccccc1)Oc1cccc2c1cccc2
• InChI: InChI=1S/C18H17NO/c19-13-18(15-8-2-1-3-9-15)20-17-12-6-10-14-7-4-5-11-16(14)17/h1-12,18H,13,19H2
• InChIKey: MGFTZUFXDSZLDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yloxy)-2-phenylethan-1-amine
• IUPAC Traditional name: 2-(naphthalen-1-yloxy)-2-phenylethanamine
• Synonyms: 2-(NAPHTHALEN-1-YLOXY)-2-PHENYL-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8858449
• LogD (pH = 7.4): 2.194561
• Log P: 3.7923076
• Molar Refractivity: 81.204 cm^3
• Polarizability: 33.46839 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%