3-[(3-methoxyphenyl)methoxy]-2-methylaniline

• ChemBase ID: 243647
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: c1(c(OCc2cc(OC)ccc2)cccc1N)C
• Canonical SMILES: COc1cccc(c1)COc1cccc(c1C)N
• InChI: InChI=1S/C15H17NO2/c1-11-14(16)7-4-8-15(11)18-10-12-5-3-6-13(9-12)17-2/h3-9H,10,16H2,1-2H3
• InChIKey: QFWVCGVKJWOKSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(3-methoxyphenyl)methoxy]-2-methylaniline
• IUPAC Traditional name: 3-[(3-methoxyphenyl)methoxy]-2-methylaniline
• Synonyms: 3-[(3-methoxyphenyl)methoxy]-2-methylaniline

Database IDs

• MDL Number: MFCD11979642
• PubChem SID: 164299557
• PubChem CID: 43381845

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0589566
• LogD (pH = 7.4): 3.0667713
• Log P: 3.066872
• Molar Refractivity: 73.3386 cm^3
• Polarizability: 27.866 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.14

Product Information

• Purity: 95%