[2-(6-methoxynaphthalen-2-yl)phenyl]methanamine

• ChemBase ID: 467966
• Molecular Formular: C18H17NO
• Molecular Mass: 263.33368
• Monoisotopic Mass: 263.13101417
• SMILES: c1(c2c(CN)cccc2)cc2c(cc(cc2)OC)cc1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)c1ccccc1CN
• InChI: InChI=1S/C18H17NO/c1-20-17-9-8-13-10-15(7-6-14(13)11-17)18-5-3-2-4-16(18)12-19/h2-11H,12,19H2,1H3
• InChIKey: MNPFRPMOAZJGSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(6-methoxynaphthalen-2-yl)phenyl]methanamine
• IUPAC Traditional name: [2-(6-methoxynaphthalen-2-yl)phenyl]methanamine
• Synonyms: 1-[2-(6-methoxy-2-naphthyl)phenyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5753427
• LogD (pH = 7.4): 1.3730764
• Log P: 3.5780451
• Molar Refractivity: 82.581 cm^3
• Polarizability: 34.930004 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.99
• LOG S: -3.52
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3