(4R)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-amine

• ChemBase ID: 808724
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: N[C@@H]1CCOc2c(cccc12)OC
• Canonical SMILES: COc1cccc2c1OCC[C@H]2N
• InChI: InChI=1S/C10H13NO2/c1-12-9-4-2-3-7-8(11)5-6-13-10(7)9/h2-4,8H,5-6,11H2,1H3/t8-/m1/s1
• InChIKey: YPYXECSRHOYDPH-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-amine
• IUPAC Traditional name: (4R)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-amine
• Synonyms: (R)-8-METHOXY-CHROMAN-4-YLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1993833
• LogD (pH = 7.4): -0.9667829
• Log P: 0.7318736
• Molar Refractivity: 50.0244 cm^3
• Polarizability: 19.83883 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%