methyl({[5-(morpholin-4-yl)thiophen-2-yl]methyl})amine

• ChemBase ID: 101350
• Molecular Formular: C10H16N2OS
• Molecular Mass: 212.31184
• Monoisotopic Mass: 212.09833414
• SMILES: c1(sc(cc1)CNC)N1CCOCC1
• Canonical SMILES: CNCc1ccc(s1)N1CCOCC1
• InChI: InChI=1S/C10H16N2OS/c1-11-8-9-2-3-10(14-9)12-4-6-13-7-5-12/h2-3,11H,4-8H2,1H3
• InChIKey: LTBKEKXCWIEXPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[5-(morpholin-4-yl)thiophen-2-yl]methyl})amine
• IUPAC Traditional name: methyl({[5-(morpholin-4-yl)thiophen-2-yl]methyl})amine
• Synonyms: N-methyl-N-[(5-morpholin-4-ylthien-2-yl)methyl]amine

Database IDs

• CAS Number: 879896-62-5
• MDL Number: MFCD09025876
• PubChem SID: 162086755
• PubChem CID: 18525863

CALCULATED PROPERTIES

• Log P: 1.5000154
• Molar Refractivity: 58.8589 cm^3
• Polarizability: 22.655298 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6507698
• LogD (pH = 7.4): -0.45473343

PROPERTIES

Product Information

• Purity: 97%