(2-ethoxy-4-methylphenyl)methanamine

• ChemBase ID: 237470
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(c(ccc(c1)C)CN)OCC
• Canonical SMILES: CCOc1cc(C)ccc1CN
• InChI: InChI=1S/C10H15NO/c1-3-12-10-6-8(2)4-5-9(10)7-11/h4-6H,3,7,11H2,1-2H3
• InChIKey: RASYGGHGWXNHPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethoxy-4-methylphenyl)methanamine
• IUPAC Traditional name: (2-ethoxy-4-methylphenyl)methanamine
• Synonyms: (2-ethoxy-4-methylphenyl)methanamine

Database IDs

• MDL Number: MFCD16704879
• PubChem SID: 164293380
• PubChem CID: 62307804

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0941606
• LogD (pH = 7.4): 0.21653172
• Log P: 1.8115723
• Molar Refractivity: 50.7844 cm^3
• Polarizability: 19.833181 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.041

Product Information

• Purity: 95%