methyl[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]amine

• ChemBase ID: 271384
• Molecular Formular: C11H18N2OS
• Molecular Mass: 226.33842
• Monoisotopic Mass: 226.11398421
• SMILES: c1(C(N2CCOCC2)CNC)sccc1
• Canonical SMILES: CNCC(c1cccs1)N1CCOCC1
• InChI: InChI=1S/C11H18N2OS/c1-12-9-10(11-3-2-8-15-11)13-4-6-14-7-5-13/h2-3,8,10,12H,4-7,9H2,1H3
• InChIKey: ADXIUXWVYBRUIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]amine
• Synonyms: methyl[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]amine

Database IDs

• MDL Number: MFCD09907259
• PubChem SID: 164327294
• PubChem CID: 22692514

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9084381
• LogD (pH = 7.4): -0.7494408
• Log P: 1.3043872
• Molar Refractivity: 62.9597 cm^3
• Polarizability: 24.883034 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.053

Product Information

• Purity: 95%