[1-(1-benzofuran-2-yl)ethyl](ethyl)amine

• ChemBase ID: 262696
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: c1(oc2c(c1)cccc2)C(NCC)C
• Canonical SMILES: CCNC(c1cc2c(o1)cccc2)C
• InChI: InChI=1S/C12H15NO/c1-3-13-9(2)12-8-10-6-4-5-7-11(10)14-12/h4-9,13H,3H2,1-2H3
• InChIKey: XLCDXJDKWGOIPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(1-benzofuran-2-yl)ethyl](ethyl)amine
• IUPAC Traditional name: [1-(1-benzofuran-2-yl)ethyl](ethyl)amine
• Synonyms: [1-(1-benzofuran-2-yl)ethyl](ethyl)amine

Database IDs

• MDL Number: MFCD09949206
• PubChem SID: 164318606
• PubChem CID: 24709506

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.83102053
• Log P: 2.384102
• Molar Refractivity: 57.192 cm^3
• Polarizability: 23.664967 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6485991

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.908

Product Information

• Purity: 95%