[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl](thiophen-2-ylmethyl)amine

• ChemBase ID: 200617
• Molecular Formular: C19H21NO2S
• Molecular Mass: 327.44054
• Monoisotopic Mass: 327.12929992
• SMILES: c1(C(c2c(OC)cccc2)CCNCc2sccc2)occc1
• Canonical SMILES: COc1ccccc1C(c1ccco1)CCNCc1cccs1
• InChI: InChI=1S/C19H21NO2S/c1-21-18-8-3-2-7-16(18)17(19-9-4-12-22-19)10-11-20-14-15-6-5-13-23-15/h2-9,12-13,17,20H,10-11,14H2,1H3
• InChIKey: MZNUAYVWLQJNOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(furan-2-yl)-3-(2-methoxyphenyl)propyl](thiophen-2-ylmethyl)amine
• IUPAC Traditional name: [3-(furan-2-yl)-3-(2-methoxyphenyl)propyl](thiophen-2-ylmethyl)amine

Database IDs

• PubChem SID: 164256527
• PubChem CID: 3437100

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.99224687
• LogD (pH = 7.4): 2.1696272
• Log P: 4.1476235
• Molar Refractivity: 93.7392 cm^3
• Polarizability: 36.359646 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds