(3-ethoxypropyl)(furan-2-ylmethyl)amine

• ChemBase ID: 35649
• Molecular Formular: C10H17NO2
• Molecular Mass: 183.24748
• Monoisotopic Mass: 183.12592879
• SMILES: c1(occc1)CNCCCOCC
• Canonical SMILES: CCOCCCNCc1ccco1
• InChI: InChI=1S/C10H17NO2/c1-2-12-7-4-6-11-9-10-5-3-8-13-10/h3,5,8,11H,2,4,6-7,9H2,1H3
• InChIKey: LXVXJJBDGXLPDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-ethoxypropyl)(furan-2-ylmethyl)amine
• IUPAC Traditional name: (3-ethoxypropyl)(furan-2-ylmethyl)amine
• Synonyms: N-(3-Ethoxypropyl)-N-(2-furylmethyl)amine

Database IDs

• MDL Number: MFCD07410479
• PubChem SID: 160998956
• PubChem CID: 4722614

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8240262
• LogD (pH = 7.4): -0.14257881
• Log P: 0.9616335
• Molar Refractivity: 52.3544 cm^3
• Polarizability: 20.455036 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false