benzyl(1-methoxy-2-methylpropan-2-yl)amine

• ChemBase ID: 247378
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: N(C(COC)(C)C)Cc1ccccc1
• Canonical SMILES: COCC(NCc1ccccc1)(C)C
• InChI: InChI=1S/C12H19NO/c1-12(2,10-14-3)13-9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
• InChIKey: MOMDLDGSAKAOOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(1-methoxy-2-methylpropan-2-yl)amine
• IUPAC Traditional name: benzyl(1-methoxy-2-methylpropan-2-yl)amine
• Synonyms: benzyl(1-methoxy-2-methylpropan-2-yl)amine

Database IDs

• PubChem SID: 164303288
• PubChem CID: 71758209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9512776
• LogD (pH = 7.4): 0.30837145
• Log P: 2.1817708
• Molar Refractivity: 59.4065 cm^3
• Polarizability: 23.623234 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.389

Product Information

• Purity: 95%