2-(benzyloxy)-5-chloroaniline

• ChemBase ID: 19651
• Molecular Formular: C13H12ClNO
• Molecular Mass: 233.69348
• Monoisotopic Mass: 233.06074169
• SMILES: c1(cc(ccc1OCc1ccccc1)Cl)N
• Canonical SMILES: Clc1ccc(c(c1)N)OCc1ccccc1
• InChI: InChI=1S/C13H12ClNO/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2
• InChIKey: UJZOHHSRILPGAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-5-chloroaniline
• IUPAC Traditional name: 2-(benzyloxy)-5-chloroaniline
• Synonyms: 2-(Benzyloxy)-5-chloroaniline

Database IDs

• MDL Number: MFCD06662567
• PubChem SID: 160982958
• PubChem CID: 4779097

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3108265
• LogD (pH = 7.4): 3.3151114
• Log P: 3.3151665
• Molar Refractivity: 66.639 cm^3
• Polarizability: 25.432716 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false