2-(morpholin-4-yl)-2-(thiophen-3-yl)ethan-1-amine

• ChemBase ID: 118315
• Molecular Formular: C10H16N2OS
• Molecular Mass: 212.31184
• Monoisotopic Mass: 212.09833414
• SMILES: c1(C(N2CCOCC2)CN)cscc1
• Canonical SMILES: NCC(c1cscc1)N1CCOCC1
• InChI: InChI=1S/C10H16N2OS/c11-7-10(9-1-6-14-8-9)12-2-4-13-5-3-12/h1,6,8,10H,2-5,7,11H2
• InChIKey: BAADONCRQFJDEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-2-(thiophen-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)-2-(thiophen-3-yl)ethanamine
• Synonyms: [2-morpholin-4-yl-2-(3-thienyl)ethyl]amine

Database IDs

• MDL Number: MFCD09731413
• PubChem SID: 162103148
• PubChem CID: 16784673

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1857672
• LogD (pH = 7.4): -0.73257685
• Log P: 0.73936737
• Molar Refractivity: 58.401 cm^3
• Polarizability: 23.04013 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.713

Product Information

• Purity: 95+%