2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethan-1-amine

• ChemBase ID: 17484
• Molecular Formular: C10H16N2O
• Molecular Mass: 180.24684
• Monoisotopic Mass: 180.12626314
• SMILES: C(c1ccco1)(N1CCCC1)CN
• Canonical SMILES: NCC(c1ccco1)N1CCCC1
• InChI: InChI=1S/C10H16N2O/c11-8-9(10-4-3-7-13-10)12-5-1-2-6-12/h3-4,7,9H,1-2,5-6,8,11H2
• InChIKey: UYQVLFHSKHZNKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethanamine
• Synonyms: 2-Furan-2-yl-2-pyrrolidin-1-yl-ethylamine; 2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethanamine; 2-(2-furyl)-2-pyrrolidin-1-ylethanamine

Database IDs

• CAS Number: 790263-43-3
• MDL Number: MFCD06357360
• PubChem SID: 160980791
• PubChem CID: 3162826

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.338492
• LogD (pH = 7.4): -1.0348288
• Log P: 0.6434699
• Molar Refractivity: 52.1526 cm^3
• Polarizability: 20.561138 Å^3
• Polar Surface Area: 42.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.018

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%