[4-(2-methoxyethoxy)phenyl]methanamine

• ChemBase ID: 257209
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(ccc(cc1)CN)OCCOC
• Canonical SMILES: NCc1ccc(cc1)OCCOC
• InChI: InChI=1S/C10H15NO2/c1-12-6-7-13-10-4-2-9(8-11)3-5-10/h2-5H,6-8,11H2,1H3
• InChIKey: PARWGYPSBMSXSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(2-methoxyethoxy)phenyl]methanamine
• IUPAC Traditional name: [4-(2-methoxyethoxy)phenyl]methanamine
• Synonyms: 1-[4-(2-methoxyethoxy)phenyl]methanamine

Database IDs

• CAS Number: 102196-20-3
• MDL Number: MFCD09816053
• PubChem SID: 164313119
• PubChem CID: 20222835

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0937934
• LogD (pH = 7.4): -1.1567037
• Log P: 0.89436746
• Molar Refractivity: 52.0381 cm^3
• Polarizability: 20.583992 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.763

Product Information

• Purity: 95%