2-(6-methoxynaphthalen-2-yl)ethan-1-amine

• ChemBase ID: 806673
• Molecular Formular: C13H15NO
• Molecular Mass: 201.2643
• Monoisotopic Mass: 201.11536411
• SMILES: C(Cc1ccc2c(ccc(c2)OC)c1)N
• Canonical SMILES: NCCc1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C13H15NO/c1-15-13-5-4-11-8-10(6-7-14)2-3-12(11)9-13/h2-5,8-9H,6-7,14H2,1H3
• InChIKey: ZVFDBOOWCDSJEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)ethanamine
• Synonyms: 2-(6-METHOXY-2-NAPHTHYL)ETHANAMINE

Database IDs

• CAS Number: 148018-65-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7896569
• LogD (pH = 7.4): -0.074013434
• Log P: 2.219481
• Molar Refractivity: 62.1998 cm^3
• Polarizability: 25.58292 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%