(2-methoxyethyl)(thiophen-2-ylmethyl)amine hydrochloride

• ChemBase ID: 263410
• Molecular Formular: C8H14ClNOS
• Molecular Mass: 207.72086
• Monoisotopic Mass: 207.04846275
• SMILES: s1c(ccc1)CNCCOC.Cl
• Canonical SMILES: COCCNCc1cccs1.Cl
• InChI: InChI=1S/C8H13NOS.ClH/c1-10-5-4-9-7-8-3-2-6-11-8;/h2-3,6,9H,4-5,7H2,1H3;1H
• InChIKey: MGHBCAIDWSQUSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(thiophen-2-ylmethyl)amine hydrochloride
• IUPAC Traditional name: (2-methoxyethyl)(thiophen-2-ylmethyl)amine hydrochloride
• Synonyms: (2-methoxyethyl)(thiophen-2-ylmethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD07110843
• PubChem SID: 164319320
• PubChem CID: 17294507

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5087857
• LogD (pH = 7.4): 0.10503322
• Log P: 1.3975005
• Molar Refractivity: 47.2394 cm^3
• Polarizability: 18.561302 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 1.327

Product Information

• Purity: 95%