(3S)-6-methyl-3,4-dihydro-2H-1-benzopyran-3-amine

• ChemBase ID: 802957
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: [C@H]1(COc2ccc(cc2C1)C)N
• Canonical SMILES: Cc1cc2C[C@H](N)COc2cc1
• InChI: InChI=1S/C10H13NO/c1-7-2-3-10-8(4-7)5-9(11)6-12-10/h2-4,9H,5-6,11H2,1H3/t9-/m0/s1
• InChIKey: KNBXYRFCLWTMLM-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-6-methyl-3,4-dihydro-2H-1-benzopyran-3-amine
• IUPAC Traditional name: (3S)-6-methyl-3,4-dihydro-2H-1-benzopyran-3-amine
• Synonyms: (3S)-6-METHYLCHROMAN-3-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3201653
• LogD (pH = 7.4): -0.1682484
• Log P: 1.6316677
• Molar Refractivity: 48.492 cm^3
• Polarizability: 19.019522 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%