6-methoxy-N-methyl-3,4-dihydro-2H-1-benzopyran-3-amine

• ChemBase ID: 812986
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: N(C)C1COc2ccc(cc2C1)OC
• Canonical SMILES: CNC1COc2c(C1)cc(cc2)OC
• InChI: InChI=1S/C11H15NO2/c1-12-9-5-8-6-10(13-2)3-4-11(8)14-7-9/h3-4,6,9,12H,5,7H2,1-2H3
• InChIKey: BTUIPFJISARBDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-N-methyl-3,4-dihydro-2H-1-benzopyran-3-amine
• IUPAC Traditional name: 6-methoxy-N-methyl-3,4-dihydro-2H-1-benzopyran-3-amine
• Synonyms: (6-METHOXY-CHROMAN-3-YL)-METHYLAMINE

Database IDs

• CAS Number: 203987-26-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7665955
• LogD (pH = 7.4): -0.6079882
• Log P: 1.3931555
• Molar Refractivity: 54.6886 cm^3
• Polarizability: 21.605013 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%