4-(3-phenylpropoxy)aniline

• ChemBase ID: 307783
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: c1(N)ccc(cc1)OCCCc1ccccc1
• Canonical SMILES: Nc1ccc(cc1)OCCCc1ccccc1
• InChI: InChI=1S/C15H17NO/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12,16H2
• InChIKey: TWHJRINTKADTKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-phenylpropoxy)aniline
• IUPAC Traditional name: 4-(3-phenylpropoxy)aniline
• Synonyms: 4-(3-phenylpropoxy)aniline

Database IDs

• CAS Number: 57181-86-9
• MDL Number: MFCD01670343

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3079379
• LogD (pH = 7.4): 3.4423344
• Log P: 3.4443517
• Molar Refractivity: 71.1902 cm^3
• Polarizability: 27.22356 Å^3
• Polar Surface Area: 35.25 Å^2