[3-(2-methoxyphenoxy)propyl](methyl)amine

• ChemBase ID: 18278
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(c(OCCCNC)cccc1)OC
• Canonical SMILES: CNCCCOc1ccccc1OC
• InChI: InChI=1S/C11H17NO2/c1-12-8-5-9-14-11-7-4-3-6-10(11)13-2/h3-4,6-7,12H,5,8-9H2,1-2H3
• InChIKey: NAEGOUYWCNHQGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2-methoxyphenoxy)propyl](methyl)amine
• IUPAC Traditional name: [3-(2-methoxyphenoxy)propyl](methyl)amine
• Synonyms: [3-(2-Methoxy-phenoxy)-propyl]-methyl-amine; 3-(2-methoxyphenoxy)-N-methyl-1-propanamine; [3-(2-methoxyphenoxy)propyl](methyl)amine

Database IDs

• CAS Number: 91340-38-4
• MDL Number: MFCD08056148
• PubChem SID: 160981585
• PubChem CID: 6486607

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8700694
• LogD (pH = 7.4): -1.2403387
• Log P: 1.3534596
• Molar Refractivity: 56.5742 cm^3
• Polarizability: 22.41714 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.669

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%