(2-methoxyethyl)[2-(4-methylphenoxy)butyl]amine

• ChemBase ID: 29193
• Molecular Formular: C14H23NO2
• Molecular Mass: 237.33792
• Monoisotopic Mass: 237.17287898
• SMILES: O(c1ccc(cc1)C)C(CNCCOC)CC
• Canonical SMILES: COCCNCC(Oc1ccc(cc1)C)CC
• InChI: InChI=1S/C14H23NO2/c1-4-13(11-15-9-10-16-3)17-14-7-5-12(2)6-8-14/h5-8,13,15H,4,9-11H2,1-3H3
• InChIKey: GAAKDQIPJBBPNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[2-(4-methylphenoxy)butyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[2-(4-methylphenoxy)butyl]amine
• Synonyms: N-(2-Methoxyethyl)-2-(4-methylphenoxy)-1-butanamine

Database IDs

• MDL Number: MFCD10687813
• PubChem SID: 160992500
• PubChem CID: 46736239

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.23306453
• LogD (pH = 7.4): 1.1427372
• Log P: 2.8567145
• Molar Refractivity: 70.2731 cm^3
• Polarizability: 27.885736 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false