2-[2,5-dimethoxy-4-(methylselanyl)phenyl]ethan-1-amine

• ChemBase ID: 125320
• Molecular Formular: C11H17NO2Se
• Molecular Mass: 274.21818
• Monoisotopic Mass: 275.04244979
• SMILES: COc1cc(CCN)c(cc1[Se]C)OC
• Canonical SMILES: NCCc1cc(OC)c(cc1OC)[Se]C
• InChI: InChI=1S/C11H17NO2Se/c1-13-9-7-11(15-3)10(14-2)6-8(9)4-5-12/h6-7H,4-5,12H2,1-3H3
• InChIKey: CXQUHXATPUFGMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2,5-dimethoxy-4-(methylselanyl)phenyl]ethan-1-amine
• IUPAC Traditional name: 2C-SE
• Synonyms: 2,5-methoxy-4-methylseleneo-1-ethane; 2C-SE

Database IDs

• PubChem SID: 162219670
• PubChem CID: 44719515
• Chemspider ID: 21106227
• Wikipedia Title: 2C-SE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.517152
• LogD (pH = 7.4): -1.4052312
• Log P: 0.856
• Molar Refractivity: 70.2931 cm^3
• Polarizability: 22.119078 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true