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

• ChemBase ID: 812983
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: N(C)C1COc2ccccc2C1
• Canonical SMILES: CNC1COc2c(C1)cccc2
• InChI: InChI=1S/C10H13NO/c1-11-9-6-8-4-2-3-5-10(8)12-7-9/h2-5,9,11H,6-7H2,1H3
• InChIKey: HXWYLYMFMGGCFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 10185-46-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6168191
• LogD (pH = 7.4): -0.49490502
• Log P: 1.5508267
• Molar Refractivity: 48.2254 cm^3
• Polarizability: 19.099201 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%