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

• ChemBase ID: 802983
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: c1(cc2c(cc1)CC(CO2)N)C
• Canonical SMILES: NC1COc2c(C1)ccc(c2)C
• InChI: InChI=1S/C10H13NO/c1-7-2-3-8-5-9(11)6-12-10(8)4-7/h2-4,9H,5-6,11H2,1H3
• InChIKey: QIKXPTHDJOHQPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-3,4-dihydro-2H-1-benzopyran-3-amine
• IUPAC Traditional name: 7-methyl-3,4-dihydro-2H-1-benzopyran-3-amine
• Synonyms: 7-METHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-3-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3228532
• LogD (pH = 7.4): -0.18306944
• Log P: 1.6316677
• Molar Refractivity: 48.492 cm^3
• Polarizability: 19.019857 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%