2-(4-benzylphenoxy)aniline

• ChemBase ID: 19551
• Molecular Formular: C19H17NO
• Molecular Mass: 275.34438
• Monoisotopic Mass: 275.13101417
• SMILES: c1(Oc2ccc(Cc3ccccc3)cc2)c(N)cccc1
• Canonical SMILES: Nc1ccccc1Oc1ccc(cc1)Cc1ccccc1
• InChI: InChI=1S/C19H17NO/c20-18-8-4-5-9-19(18)21-17-12-10-16(11-13-17)14-15-6-2-1-3-7-15/h1-13H,14,20H2
• InChIKey: QMIQLBUKBOXKNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-benzylphenoxy)aniline
• IUPAC Traditional name: 2-(4-benzylphenoxy)aniline
• Synonyms: 2-(4-Benzylphenoxy)aniline

Database IDs

• MDL Number: MFCD08686883
• PubChem SID: 160982858
• PubChem CID: 26189128

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.734764
• LogD (pH = 7.4): 4.7363806
• Log P: 4.736401
• Molar Refractivity: 86.7364 cm^3
• Polarizability: 33.225594 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false