[2-(4-methoxyphenoxy)ethyl](methyl)amine

• ChemBase ID: 29253
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(ccc(cc1)OCCNC)OC
• Canonical SMILES: CNCCOc1ccc(cc1)OC
• InChI: InChI=1S/C10H15NO2/c1-11-7-8-13-10-5-3-9(12-2)4-6-10/h3-6,11H,7-8H2,1-2H3
• InChIKey: HWUZQODGTCVVBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-methoxyphenoxy)ethyl](methyl)amine
• IUPAC Traditional name: [2-(4-methoxyphenoxy)ethyl](methyl)amine
• Synonyms: 2-(4-Methoxyphenoxy)-N-methyl-1-ethanamine; N-[2-(4-methoxyphenoxy)ethyl]-N-methylamine

Database IDs

• CAS Number: 102246-82-2
• MDL Number: MFCD06384304
• PubChem SID: 160992560
• PubChem CID: 2574637

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8834869
• LogD (pH = 7.4): -0.81055987
• Log P: 1.2934998
• Molar Refractivity: 51.7088 cm^3
• Polarizability: 20.57125 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 201 - 203°C
• Hydrophobicity(logP): 1.656

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%