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

• ChemBase ID: 29254
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(OC(CNC)C)c(OC)cccc1
• Canonical SMILES: CNCC(Oc1ccccc1OC)C
• InChI: InChI=1S/C11H17NO2/c1-9(8-12-2)14-11-7-5-4-6-10(11)13-3/h4-7,9,12H,8H2,1-3H3
• InChIKey: HOMLYHFLPRVBPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-methoxyphenoxy)propyl](methyl)amine
• IUPAC Traditional name: [2-(2-methoxyphenoxy)propyl](methyl)amine
• Synonyms: 2-(2-Methoxyphenoxy)-N-methyl-1-propanamine

Database IDs

• MDL Number: MFCD10687869
• PubChem SID: 160992561
• PubChem CID: 46736257

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.477537
• LogD (pH = 7.4): -0.46979383
• Log P: 1.7100749
• Molar Refractivity: 56.1276 cm^3
• Polarizability: 22.416924 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false