2-(2-phenylethoxy)aniline

• ChemBase ID: 256013
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(c(OCCc2ccccc2)cccc1)N
• Canonical SMILES: Nc1ccccc1OCCc1ccccc1
• InChI: InChI=1S/C14H15NO/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-9H,10-11,15H2
• InChIKey: XHTYNSVPAGBEAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylethoxy)aniline
• IUPAC Traditional name: 2-(2-phenylethoxy)aniline
• Synonyms: 2-(2-phenylethoxy)aniline

Database IDs

• MDL Number: MFCD06801167
• PubChem SID: 164311923
• PubChem CID: 16771131

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9641216
• LogD (pH = 7.4): 2.999315
• Log P: 2.9997828
• Molar Refractivity: 66.5892 cm^3
• Polarizability: 25.37779 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.281

Product Information

• Purity: 95%