N-ethyl-N-[(8-methoxy-2H-chromen-3-yl)methyl]oxan-4-amine

• ChemBase ID: 579616
• Molecular Formular: C18H25NO3
• Molecular Mass: 303.396
• Monoisotopic Mass: 303.18344367
• SMILES: O1c2c(C=C(CN(C3CCOCC3)CC)C1)cccc2OC
• Canonical SMILES: CCN(C1CCOCC1)CC1=Cc2c(OC1)c(OC)ccc2
• InChI: InChI=1S/C18H25NO3/c1-3-19(16-7-9-21-10-8-16)12-14-11-15-5-4-6-17(20-2)18(15)22-13-14/h4-6,11,16H,3,7-10,12-13H2,1-2H3
• InChIKey: ATRNAMDADJVKJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[(8-methoxy-2H-chromen-3-yl)methyl]oxan-4-amine
• IUPAC Traditional name: N-ethyl-N-[(8-methoxy-2H-chromen-3-yl)methyl]oxan-4-amine
• Synonyms: N-ethyl-N-[(8-methoxy-2H-chromen-3-yl)methyl]tetrahydro-2H-pyran-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3232709
• LogD (pH = 7.4): 0.092940934
• Log P: 2.008377
• Molar Refractivity: 88.8652 cm^3
• Polarizability: 34.37391 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.05
• LOG S: -3.01
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 5