(furan-2-ylmethyl)(thiophen-2-ylmethyl)amine

• ChemBase ID: 232822
• Molecular Formular: C10H11NOS
• Molecular Mass: 193.26544
• Monoisotopic Mass: 193.05613498
• SMILES: s1c(ccc1)CNCc1occc1
• Canonical SMILES: c1coc(c1)CNCc1cccs1
• InChI: InChI=1S/C10H11NOS/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6,11H,7-8H2
• InChIKey: ZIBXJYYJXSSFBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)(thiophen-2-ylmethyl)amine
• IUPAC Traditional name: (furan-2-ylmethyl)(thiophen-2-ylmethyl)amine
• Synonyms: (2-furylmethyl)(2-thienylmethyl)amine; N-(2-furylmethyl)-N-(thien-2-ylmethyl)amine

Database IDs

• CAS Number: 90921-60-1
• MDL Number: MFCD01445262
• PubChem SID: 164288732
• PubChem CID: 1088480

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.24283713
• LogD (pH = 7.4): 1.8718905
• Log P: 2.2291958
• Molar Refractivity: 53.1994 cm^3
• Polarizability: 20.64136 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): 1.49

Product Information

• Purity: 95%