[2-(4-ethylphenoxy)ethyl](oxolan-2-ylmethyl)amine

• ChemBase ID: 29052
• Molecular Formular: C15H23NO2
• Molecular Mass: 249.34862
• Monoisotopic Mass: 249.17287898
• SMILES: O1C(CNCCOc2ccc(cc2)CC)CCC1
• Canonical SMILES: CCc1ccc(cc1)OCCNCC1CCCO1
• InChI: InChI=1S/C15H23NO2/c1-2-13-5-7-14(8-6-13)18-11-9-16-12-15-4-3-10-17-15/h5-8,15-16H,2-4,9-12H2,1H3
• InChIKey: APQOPUMKMWQXNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-ethylphenoxy)ethyl](oxolan-2-ylmethyl)amine
• IUPAC Traditional name: [2-(4-ethylphenoxy)ethyl](oxolan-2-ylmethyl)amine
• Synonyms: 2-(4-Ethylphenoxy)-N-(tetrahydro-2-furanylmethyl)-1-ethanamine

Database IDs

• MDL Number: MFCD10687692
• PubChem SID: 160992359
• PubChem CID: 46736208

CALCULATED PROPERTIES

• Log P: 2.8277502
• Molar Refractivity: 73.1425 cm^3
• Polarizability: 28.995554 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.26145768
• LogD (pH = 7.4): 1.1156094

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false