[2-amino-2-(furan-2-yl)ethyl]dimethylamine

• ChemBase ID: 279608
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: c1(C(CN(C)C)N)occc1
• Canonical SMILES: CN(CC(c1ccco1)N)C
• InChI: InChI=1S/C8H14N2O/c1-10(2)6-7(9)8-4-3-5-11-8/h3-5,7H,6,9H2,1-2H3
• InChIKey: YORMATAXHWPXGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-2-(furan-2-yl)ethyl]dimethylamine
• IUPAC Traditional name: [2-amino-2-(furan-2-yl)ethyl]dimethylamine
• Synonyms: N-[2-amino-2-(2-furyl)ethyl]-N,N-dimethylamine

Database IDs

• MDL Number: MFCD08444617
• PubChem SID: 164335518
• PubChem CID: 16228091

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.615623
• LogD (pH = 7.4): -0.87010723
• Log P: 0.2376725
• Molar Refractivity: 44.6116 cm^3
• Polarizability: 17.606169 Å^3
• Polar Surface Area: 42.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.341

Product Information

• Purity: 95%