[(5-methylthiophen-2-yl)methyl][3-(morpholin-4-yl)propyl]amine dihydrochloride

• ChemBase ID: 14781
• Molecular Formular: C13H24Cl2N2OS
• Molecular Mass: 327.31346
• Monoisotopic Mass: 326.09863976
• SMILES: c1cc(sc1C)CNCCCN1CCOCC1.Cl.Cl
• Canonical SMILES: Cc1ccc(s1)CNCCCN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C13H22N2OS.2ClH/c1-12-3-4-13(17-12)11-14-5-2-6-15-7-9-16-10-8-15;;/h3-4,14H,2,5-11H2,1H3;2*1H
• InChIKey: PZIHBHCWQJHOFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-methylthiophen-2-yl)methyl][3-(morpholin-4-yl)propyl]amine dihydrochloride
• IUPAC Traditional name: [(5-methylthiophen-2-yl)methyl][3-(morpholin-4-yl)propyl]amine dihydrochloride
• Synonyms: (5-Methyl-thiophen-2-ylmethyl)-(3-morpholin-4-yl-propyl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD06002545
• PubChem SID: 160978088
• PubChem CID: 2968742

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8939754
• LogD (pH = 7.4): -0.18956661
• Log P: 1.9504406
• Molar Refractivity: 73.2112 cm^3
• Polarizability: 28.484982 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false