2-(methoxymethyl)aniline

• ChemBase ID: 258261
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(c(N)cccc1)COC
• Canonical SMILES: COCc1ccccc1N
• InChI: InChI=1S/C8H11NO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6,9H2,1H3
• InChIKey: ZHERWZMAGGWSIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09811778
• PubChem SID: 164314171
• PubChem CID: 12334306

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0150849
• LogD (pH = 7.4): 1.0200331
• Log P: 1.0200965
• Molar Refractivity: 42.3255 cm^3
• Polarizability: 15.840967 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.643

Product Information

• Purity: 95%