[2-(2-methoxynaphthalen-1-yl)ethyl](1-methoxypropan-2-yl)amine

• ChemBase ID: 552038
• Molecular Formular: C17H23NO2
• Molecular Mass: 273.37002
• Monoisotopic Mass: 273.17287898
• SMILES: c1(c2c(ccc1OC)cccc2)CCNC(COC)C
• Canonical SMILES: COCC(NCCc1c(OC)ccc2c1cccc2)C
• InChI: InChI=1S/C17H23NO2/c1-13(12-19-2)18-11-10-16-15-7-5-4-6-14(15)8-9-17(16)20-3/h4-9,13,18H,10-12H2,1-3H3
• InChIKey: VUJJHORLIRHWHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-methoxynaphthalen-1-yl)ethyl](1-methoxypropan-2-yl)amine
• IUPAC Traditional name: [2-(2-methoxynaphthalen-1-yl)ethyl](1-methoxypropan-2-yl)amine
• Synonyms: (2-methoxy-1-methylethyl)[2-(2-methoxy-1-naphthyl)ethyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.1571971
• LogD (pH = 7.4): 0.90505993
• Log P: 3.0216608
• Molar Refractivity: 82.4367 cm^3
• Polarizability: 33.603275 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.13
• LOG S: -2.86
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7