[2-(2-methoxyethoxy)phenyl]methanamine

• ChemBase ID: 262193
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(c(OCCOC)cccc1)CN
• Canonical SMILES: COCCOc1ccccc1CN
• InChI: InChI=1S/C10H15NO2/c1-12-6-7-13-10-5-3-2-4-9(10)8-11/h2-5H,6-8,11H2,1H3
• InChIKey: MQPPRLDARZKFDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09810092
• PubChem SID: 164318103
• PubChem CID: 20222880

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0007749
• LogD (pH = 7.4): -0.6628138
• Log P: 0.89436746
• Molar Refractivity: 52.0381 cm^3
• Polarizability: 20.584234 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.903

Product Information

• Purity: 95%