dimethyl({[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine

• ChemBase ID: 180327
• Molecular Formular: C15H24BNO2
• Molecular Mass: 261.16756
• Monoisotopic Mass: 261.19000941
• SMILES: N(Cc1cc(ccc1)B1OC(C(O1)(C)C)(C)C)(C)C
• Canonical SMILES: CN(Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C15H24BNO2/c1-14(2)15(3,4)19-16(18-14)13-9-7-8-12(10-13)11-17(5)6/h7-10H,11H2,1-6H3
• InChIKey: LBUOWYCATLFSRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine
• IUPAC Traditional name: dimethyl({[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine
• Synonyms: N,N-dimethyl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine

Database IDs

• CAS Number: 909391-56-6
• PubChem SID: 164236237
• PubChem CID: 3803620

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7278091
• LogD (pH = 7.4): 2.5227265
• Log P: 3.7873
• Molar Refractivity: 74.2558 cm^3
• Polarizability: 31.069038 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true