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

• ChemBase ID: 87374
• Molecular Formular: C11H18N2OS
• Molecular Mass: 226.33842
• Monoisotopic Mass: 226.11398421
• SMILES: O1CCN(CC1)Cc1ccc(s1)CNC
• Canonical SMILES: CNCc1ccc(s1)CN1CCOCC1
• InChI: InChI=1S/C11H18N2OS/c1-12-8-10-2-3-11(15-10)9-13-4-6-14-7-5-13/h2-3,12H,4-9H2,1H3
• InChIKey: LJPRPFHZPNCEIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl})amine
• IUPAC Traditional name: methyl({[5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl})amine
• Synonyms: N-Methyl-1-[5-(morpholin-4-ylmethyl)thiophen-2-yl]methylamine; 2-[(Methylamino)methyl]-5-(morpholin-4-ylmethyl)thiophene 97%; N-methyl-[5-(morpholinomethyl)thien-2-ylmethyl]amine

Database IDs

• CAS Number: 893742-71-7
• MDL Number: MFCD06803277
• PubChem SID: 162074477
• PubChem CID: 20098901

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.907673
• LogD (pH = 7.4): -0.46568972
• Log P: 1.2998117
• Molar Refractivity: 63.5972 cm^3
• Polarizability: 24.882246 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%