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

• ChemBase ID: 243906
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: c1(c(OCc2c(OC)cccc2)cccc1N)C
• Canonical SMILES: COc1ccccc1COc1cccc(c1C)N
• InChI: InChI=1S/C15H17NO2/c1-11-13(16)7-5-9-14(11)18-10-12-6-3-4-8-15(12)17-2/h3-9H,10,16H2,1-2H3
• InChIKey: LNCUUAGXZYBMEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16497385
• PubChem SID: 164299816
• PubChem CID: 61672743

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0578148
• LogD (pH = 7.4): 3.0667567
• Log P: 3.066872
• Molar Refractivity: 73.3386 cm^3
• Polarizability: 27.866274 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%