4-[4-(4-aminophenoxy)butoxy]aniline

• ChemBase ID: 84128
• Molecular Formular: C16H20N2O2
• Molecular Mass: 272.3422
• Monoisotopic Mass: 272.15247789
• SMILES: Nc1ccc(cc1)OCCCCOc1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)OCCCCOc1ccc(cc1)N
• InChI: InChI=1S/C16H20N2O2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h3-10H,1-2,11-12,17-18H2
• InChIKey: LAFZPVANKKJENB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(4-aminophenoxy)butoxy]aniline
• IUPAC Traditional name: 4-[4-(4-aminophenoxy)butoxy]aniline
• Synonyms: 4-[4-(4-aminophenoxy)butoxy]aniline

Database IDs

• MDL Number: MFCD00088690
• PubChem SID: 162071244
• PubChem CID: 53351

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1074128
• LogD (pH = 7.4): 2.37508
• Log P: 2.3790946
• Molar Refractivity: 81.9842 cm^3
• Polarizability: 30.924751 Å^3
• Polar Surface Area: 70.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true