diethyl({2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl})amine

• ChemBase ID: 236471
• Molecular Formular: C18H30BNO3
• Molecular Mass: 319.2467
• Monoisotopic Mass: 319.23187423
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)OCCN(CC)CC
• Canonical SMILES: CCN(CCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)CC
• InChI: InChI=1S/C18H30BNO3/c1-7-20(8-2)13-14-21-16-11-9-15(10-12-16)19-22-17(3,4)18(5,6)23-19/h9-12H,7-8,13-14H2,1-6H3
• InChIKey: VFWYNMQUGAHDAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl({2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl})amine
• IUPAC Traditional name: diethyl({2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl})amine
• Synonyms: diethyl({2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl})amine

Database IDs

• MDL Number: MFCD09746213
• PubChem SID: 164292381
• PubChem CID: 58354678

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8195824
• LogD (pH = 7.4): 2.4445472
• Log P: 4.3118
• Molar Refractivity: 89.6926 cm^3
• Polarizability: 37.26116 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.746

Product Information

• Purity: 95%