[2-(diethylamino)ethyl](thiophen-2-ylmethyl)amine

• ChemBase ID: 248752
• Molecular Formular: C11H20N2S
• Molecular Mass: 212.3549
• Monoisotopic Mass: 212.13471965
• SMILES: s1c(ccc1)CNCCN(CC)CC
• Canonical SMILES: CCN(CCNCc1cccs1)CC
• InChI: InChI=1S/C11H20N2S/c1-3-13(4-2)8-7-12-10-11-6-5-9-14-11/h5-6,9,12H,3-4,7-8,10H2,1-2H3
• InChIKey: KRZYUBRNUWCSDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diethylamino)ethyl](thiophen-2-ylmethyl)amine
• IUPAC Traditional name: [2-(diethylamino)ethyl](thiophen-2-ylmethyl)amine
• Synonyms: N,N-diethyl-N'-(thien-2-ylmethyl)ethane-1,2-diamine

Database IDs

• MDL Number: MFCD06655572
• PubChem SID: 164304662
• PubChem CID: 4719996

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2800496
• LogD (pH = 7.4): 0.20199761
• Log P: 2.1767364
• Molar Refractivity: 63.7122 cm^3
• Polarizability: 24.927586 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.594

Product Information

• Purity: 95%