1-(2-aminoethoxy)-4-phenylbenzene

• ChemBase ID: 306436
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(c2ccccc2)ccc(cc1)OCCN
• Canonical SMILES: NCCOc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C14H15NO/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11,15H2
• InChIKey: BSDBRFAGCUJYJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-4-phenylbenzene
• IUPAC Traditional name: 1-(2-aminoethoxy)-4-phenylbenzene
• Synonyms: 2-(biphenyl-4-yloxy)ethanamine

Database IDs

• CAS Number: 125470-84-0
• MDL Number: MFCD06245965

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2957818
• LogD (pH = 7.4): 0.8098564
• Log P: 2.665816
• Molar Refractivity: 65.6072 cm^3
• Polarizability: 27.287323 Å^3
• Polar Surface Area: 35.25 Å^2