2-(2-methoxyphenoxymethyl)aniline

• ChemBase ID: 259191
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: c1(COc2c(OC)cccc2)c(N)cccc1
• Canonical SMILES: COc1ccccc1OCc1ccccc1N
• InChI: InChI=1S/C14H15NO2/c1-16-13-8-4-5-9-14(13)17-10-11-6-2-3-7-12(11)15/h2-9H,10,15H2,1H3
• InChIKey: QUITYLJZRSSRFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenoxymethyl)aniline
• IUPAC Traditional name: 2-(2-methoxyphenoxymethyl)aniline
• Synonyms: 2-(2-methoxyphenoxymethyl)aniline

Database IDs

• MDL Number: MFCD09802534
• PubChem SID: 164315101
• PubChem CID: 20115979

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5502472
• LogD (pH = 7.4): 2.55341
• Log P: 2.5534503
• Molar Refractivity: 68.2974 cm^3
• Polarizability: 26.101171 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55 - 57°C
• Hydrophobicity(logP): 2.291

Product Information

• Purity: 95%