2-[4-(benzyloxy)phenyl]propan-2-amine

• ChemBase ID: 813893
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: CC(C)(N)c1ccc(cc1)OCc1ccccc1
• Canonical SMILES: CC(c1ccc(cc1)OCc1ccccc1)(N)C
• InChI: InChI=1S/C16H19NO/c1-16(2,17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,12,17H2,1-2H3
• InChIKey: XTKMVDDVLKTAKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(benzyloxy)phenyl]propan-2-amine
• IUPAC Traditional name: 2-[4-(benzyloxy)phenyl]propan-2-amine
• Synonyms: 2-(4-(benzyloxy)phenyl)propan-2-amine

Database IDs

• CAS Number: 306761-09-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.34590882
• LogD (pH = 7.4): 0.9301542
• Log P: 3.3629677
• Molar Refractivity: 74.6642 cm^3
• Polarizability: 29.54351 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%