3-[(benzyloxy)methyl]aniline

• ChemBase ID: 259148
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1c(N)cccc1COCc1ccccc1
• Canonical SMILES: Nc1cccc(c1)COCc1ccccc1
• InChI: InChI=1S/C14H15NO/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h1-9H,10-11,15H2
• InChIKey: YNGZKYBHLZBSRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(benzyloxy)methyl]aniline
• IUPAC Traditional name: 3-[(benzyloxy)methyl]aniline
• Synonyms: 3-[(benzyloxy)methyl]aniline

Database IDs

• MDL Number: MFCD06804493
• PubChem SID: 164315058
• PubChem CID: 15084980

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7242455
• LogD (pH = 7.4): 2.7443078
• Log P: 2.7445698
• Molar Refractivity: 66.9381 cm^3
• Polarizability: 25.463629 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.071

Product Information

• Purity: 95%