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

• ChemBase ID: 236709
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: c1(c(ccc(c1)C)CN)OCCOCC
• Canonical SMILES: CCOCCOc1cc(C)ccc1CN
• InChI: InChI=1S/C12H19NO2/c1-3-14-6-7-15-12-8-10(2)4-5-11(12)9-13/h4-5,8H,3,6-7,9,13H2,1-2H3
• InChIKey: IIQGGQPQJLNZLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16704886
• PubChem SID: 164292619
• PubChem CID: 62308849

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1408278
• LogD (pH = 7.4): 0.17069548
• Log P: 1.7645968
• Molar Refractivity: 61.8279 cm^3
• Polarizability: 24.19326 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.791

Product Information

• Purity: 95%