2-[(benzyloxy)methyl]aniline

• ChemBase ID: 259045
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(c(N)cccc1)COCc1ccccc1
• Canonical SMILES: Nc1ccccc1COCc1ccccc1
• InChI: InChI=1S/C14H15NO/c15-14-9-5-4-8-13(14)11-16-10-12-6-2-1-3-7-12/h1-9H,10-11,15H2
• InChIKey: FEZQBNAKAKTQFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(benzyloxy)methyl]aniline
• IUPAC Traditional name: 2-[(benzyloxy)methyl]aniline
• Synonyms: 2-[(benzyloxy)methyl]aniline

Database IDs

• MDL Number: MFCD09814533
• PubChem SID: 164314955
• PubChem CID: 17940844

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7400653
• LogD (pH = 7.4): 2.7445128
• Log P: 2.7445698
• Molar Refractivity: 66.9381 cm^3
• Polarizability: 25.463964 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.021

Product Information

• Purity: 95%