[3-(4-methoxyphenoxy)propyl](methyl)amine

• ChemBase ID: 18713
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(ccc(cc1)OCCCNC)OC
• Canonical SMILES: CNCCCOc1ccc(cc1)OC
• InChI: InChI=1S/C11H17NO2/c1-12-8-3-9-14-11-6-4-10(13-2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
• InChIKey: LYIVXPJPEPNDIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-methoxyphenoxy)propyl](methyl)amine
• IUPAC Traditional name: [3-(4-methoxyphenoxy)propyl](methyl)amine
• Synonyms: 3-(4-methoxyphenoxy)-N-methyl-1-propanamine; [3-(4-Methoxy-phenoxy)-propyl]-methyl-amine

Database IDs

• CAS Number: 303104-76-9
• MDL Number: MFCD08146576
• PubChem SID: 160982020
• PubChem CID: 6504199

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8700694
• LogD (pH = 7.4): -1.2403392
• Log P: 1.3534596
• Molar Refractivity: 56.5742 cm^3
• Polarizability: 22.414658 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false