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

• ChemBase ID: 18222
• Molecular Formular: C8H13NOS
• Molecular Mass: 171.25992
• Monoisotopic Mass: 171.07178504
• SMILES: c1c(csc1)CNCCOC
• Canonical SMILES: COCCNCc1cscc1
• InChI: InChI=1S/C8H13NOS/c1-10-4-3-9-6-8-2-5-11-7-8/h2,5,7,9H,3-4,6H2,1H3
• InChIKey: FZVKCLMJDZYJHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 883545-46-8
• MDL Number: MFCD07411624
• PubChem SID: 160981529
• PubChem CID: 4723871

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