4-[1-(benzyloxy)ethyl]aniline

• ChemBase ID: 235841
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: c1(ccc(N)cc1)C(OCc1ccccc1)C
• Canonical SMILES: Nc1ccc(cc1)C(OCc1ccccc1)C
• InChI: InChI=1S/C15H17NO/c1-12(14-7-9-15(16)10-8-14)17-11-13-5-3-2-4-6-13/h2-10,12H,11,16H2,1H3
• InChIKey: OCIOWKYOSVAVBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(benzyloxy)ethyl]aniline
• IUPAC Traditional name: 4-[1-(benzyloxy)ethyl]aniline
• Synonyms: 4-[1-(benzyloxy)ethyl]aniline

Database IDs

• MDL Number: MFCD13325265
• PubChem SID: 164291751
• PubChem CID: 61263885

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1358008
• LogD (pH = 7.4): 3.1608162
• Log P: 3.1611447
• Molar Refractivity: 71.3569 cm^3
• Polarizability: 27.309704 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.38

Product Information

• Purity: 95%