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

• ChemBase ID: 312262
• Molecular Formular: C10H11NOS
• Molecular Mass: 193.26544
• Monoisotopic Mass: 193.05613498
• SMILES: c1(cscc1)CNCc1occc1
• Canonical SMILES: s1ccc(c1)CNCc1ccco1
• InChI: InChI=1S/C10H11NOS/c1-2-10(12-4-1)7-11-6-9-3-5-13-8-9/h1-5,8,11H,6-7H2
• InChIKey: IPWFINGMDUMRBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)(thiophen-3-ylmethyl)amine
• IUPAC Traditional name: (furan-2-ylmethyl)(thiophen-3-ylmethyl)amine
• Synonyms: (2-furylmethyl)(3-thienylmethyl)amine

Database IDs

• CAS Number: 892593-40-7
• MDL Number: MFCD07411629

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.0021338884
• LogD (pH = 7.4): 1.6703566
• Log P: 2.0967565
• Molar Refractivity: 53.4153 cm^3
• Polarizability: 20.638756 Å^3
• Polar Surface Area: 25.17 Å^2