N-[2-(2-fluorophenoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 552159
• Molecular Formular: C19H22FNO2
• Molecular Mass: 315.3818832
• Monoisotopic Mass: 315.16345717
• SMILES: c12c(ccc(c1)OC)CCC(C2)NCCOc1c(F)cccc1
• Canonical SMILES: COc1ccc2c(c1)CC(CC2)NCCOc1ccccc1F
• InChI: InChI=1S/C19H22FNO2/c1-22-17-9-7-14-6-8-16(12-15(14)13-17)21-10-11-23-19-5-3-2-4-18(19)20/h2-5,7,9,13,16,21H,6,8,10-12H2,1H3
• InChIKey: QWQDPMKCXNYEFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-fluorophenoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: N-[2-(2-fluorophenoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: N-[2-(2-fluorophenoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.795933
• LogD (pH = 7.4): 1.7296318
• Log P: 3.9935603
• Molar Refractivity: 88.8736 cm^3
• Polarizability: 34.456345 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.11
• LOG S: -4.0
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6