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

• ChemBase ID: 808891
• Molecular Formular: C18H17NO
• Molecular Mass: 263.33368
• Monoisotopic Mass: 263.13101417
• SMILES: NCC(c1ccccc1)Oc1ccc2c(cccc2)c1
• Canonical SMILES: NCC(c1ccccc1)Oc1ccc2c(c1)cccc2
• InChI: InChI=1S/C18H17NO/c19-13-18(15-7-2-1-3-8-15)20-17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18H,13,19H2
• InChIKey: HJTXQGQPIBBEGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.88584095
• LogD (pH = 7.4): 2.1945465
• Log P: 3.7923076
• Molar Refractivity: 81.204 cm^3
• Polarizability: 33.46433 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%