methyl[3-(oxolan-2-yl)propyl](2-phenylethyl)amine

• ChemBase ID: 619373
• Molecular Formular: C16H25NO
• Molecular Mass: 247.3758
• Monoisotopic Mass: 247.19361443
• SMILES: O1C(CCCN(CCc2ccccc2)C)CCC1
• Canonical SMILES: CN(CCc1ccccc1)CCCC1CCCO1
• InChI: InChI=1S/C16H25NO/c1-17(12-5-9-16-10-6-14-18-16)13-11-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3
• InChIKey: ZSFYLBGRNXFVPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(oxolan-2-yl)propyl](2-phenylethyl)amine
• IUPAC Traditional name: methyl[3-(oxolan-2-yl)propyl](2-phenylethyl)amine
• Synonyms: N-methyl-N-(2-phenylethyl)-3-(tetrahydrofuran-2-yl)propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2319676
• LogD (pH = 7.4): 0.87035596
• Log P: 3.1992152
• Molar Refractivity: 77.1204 cm^3
• Polarizability: 30.191854 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.9
• LOG S: -2.47
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 7