7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine

• ChemBase ID: 308622
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: c12c(C(CC(O1)(C)C)N)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)OC(CC2N)(C)C
• InChI: InChI=1S/C12H17NO2/c1-12(2)7-10(13)9-5-4-8(14-3)6-11(9)15-12/h4-6,10H,7,13H2,1-3H3
• InChIKey: ILVYMPMYKKRSPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine
• IUPAC Traditional name: 7-methoxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-4-amine
• Synonyms: (7-methoxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)amine

Database IDs

• CAS Number: 220634-33-3
• MDL Number: MFCD09262270

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5082701
• LogD (pH = 7.4): -0.29737172
• Log P: 1.4290253
• Molar Refractivity: 59.0814 cm^3
• Polarizability: 23.521818 Å^3
• Polar Surface Area: 44.48 Å^2