(2-methoxyethyl)(thiophen-3-ylmethyl)amine hydrochloride

• ChemBase ID: 24119
• Molecular Formular: C8H14ClNOS
• Molecular Mass: 207.72086
• Monoisotopic Mass: 207.04846275
• SMILES: c1(ccsc1)CNCCOC.Cl
• Canonical SMILES: COCCNCc1cscc1.Cl
• InChI: InChI=1S/C8H13NOS.ClH/c1-10-4-3-9-6-8-2-5-11-7-8;/h2,5,7,9H,3-4,6H2,1H3;1H
• InChIKey: SEGKXHGSKXFCLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(thiophen-3-ylmethyl)amine hydrochloride
• IUPAC Traditional name: (2-methoxyethyl)(thiophen-3-ylmethyl)amine hydrochloride
• Synonyms: (2-Methoxy-ethyl)-thiophen-3-ylmethyl-amine hydrochloride

Database IDs

• MDL Number: MFCD07170387
• PubChem SID: 160987426
• PubChem CID: 17332357

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6957362
• LogD (pH = 7.4): -0.12874116
• Log P: 1.2650611
• Molar Refractivity: 47.4553 cm^3
• Polarizability: 18.558702 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false