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

• ChemBase ID: 31389
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(c(OCCNC)cccc1)OC
• Canonical SMILES: CNCCOc1ccccc1OC
• InChI: InChI=1S/C10H15NO2/c1-11-7-8-13-10-6-4-3-5-9(10)12-2/h3-6,11H,7-8H2,1-2H3
• InChIKey: VOIPEKOXTFLQNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-methoxyphenoxy)ethyl](methyl)amine
• IUPAC Traditional name: [2-(2-methoxyphenoxy)ethyl](methyl)amine
• Synonyms: [2-(2-methoxyphenoxy)ethyl](methyl)amine; 2-(2-Methoxyphenoxy)-N-methylethylamine; 2-(2-methoxyphenoxy)-N-methylethanamine; [2-(2-Methoxy-phenoxy)-ethyl]-methyl-amine; 2-(2-甲烷氧基苯氧基)-N-甲基乙胺

Database IDs

• CAS Number: 72955-82-9
• MDL Number: MFCD07400597
• PubChem SID: 160994696
• PubChem CID: 6485441

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8752483
• LogD (pH = 7.4): -0.75877714
• Log P: 1.2934998
• Molar Refractivity: 51.7088 cm^3
• Polarizability: 20.573723 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.306

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 96%