[2-(2-methoxyethoxy)-4-methylphenyl]methanamine

• ChemBase ID: 237027
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(c(ccc(c1)C)CN)OCCOC
• Canonical SMILES: COCCOc1cc(C)ccc1CN
• InChI: InChI=1S/C11H17NO2/c1-9-3-4-10(8-12)11(7-9)14-6-5-13-2/h3-4,7H,5-6,8,12H2,1-2H3
• InChIKey: PXPRWLRSXGSTFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-methoxyethoxy)-4-methylphenyl]methanamine
• IUPAC Traditional name: [2-(2-methoxyethoxy)-4-methylphenyl]methanamine
• Synonyms: [2-(2-methoxyethoxy)-4-methylphenyl]methanamine

Database IDs

• MDL Number: MFCD16704885
• PubChem SID: 164292937
• PubChem CID: 62308679

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4976357
• LogD (pH = 7.4): -0.18611257
• Log P: 1.4077889
• Molar Refractivity: 57.0793 cm^3
• Polarizability: 22.3496 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.402

Product Information

• Purity: 95%