2-[4-(ethylsulfanyl)-2,5-dimethoxyphenyl]ethan-1-amine

• ChemBase ID: 125325
• Molecular Formular: C12H19NO2S
• Molecular Mass: 241.34976
• Monoisotopic Mass: 241.11364985
• SMILES: CCSc1cc(OC)c(cc1OC)CCN
• Canonical SMILES: NCCc1cc(OC)c(cc1OC)SCC
• InChI: InChI=1S/C12H19NO2S/c1-4-16-12-8-10(14-2)9(5-6-13)7-11(12)15-3/h7-8H,4-6,13H2,1-3H3
• InChIKey: HCWQGDLBIKOJPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(ethylsulfanyl)-2,5-dimethoxyphenyl]ethan-1-amine
• IUPAC Traditional name: 2-[4-(ethylsulfanyl)-2,5-dimethoxyphenyl]ethanamine
• Synonyms: 2C-T-2; 2,5-DIMETHOXY-4-(ETHYLTHIO)PHENETHYLAMINE

Database IDs

• CAS Number: 207740-24-7
• PubChem SID: 162219675
• PubChem CID: 12074193
• CHEMBL: 339223
• Chemspider ID: 16787961
• Wikipedia Title: 2C-T-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0501509
• LogD (pH = 7.4): -0.26445007
• Log P: 1.95358
• Molar Refractivity: 69.7695 cm^3
• Polarizability: 27.225592 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%