[3-(morpholin-4-yl)propyl](thiophen-2-ylmethyl)amine

• ChemBase ID: 18265
• Molecular Formular: C12H20N2OS
• Molecular Mass: 240.365
• Monoisotopic Mass: 240.12963427
• SMILES: s1c(ccc1)CNCCCN1CCOCC1
• Canonical SMILES: C(NCc1cccs1)CCN1CCOCC1
• InChI: InChI=1S/C12H20N2OS/c1-3-12(16-10-1)11-13-4-2-5-14-6-8-15-9-7-14/h1,3,10,13H,2,4-9,11H2
• InChIKey: JIEIYNBRXBCILQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(morpholin-4-yl)propyl](thiophen-2-ylmethyl)amine
• IUPAC Traditional name: [3-(morpholin-4-yl)propyl](thiophen-2-ylmethyl)amine
• Synonyms: (3-Morpholin-4-yl-propyl)-thiophen-2-ylmethyl-amine

Database IDs

• MDL Number: MFCD01475417
• PubChem SID: 160981572
• PubChem CID: 2117475

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5141828
• LogD (pH = 7.4): -0.72704476
• Log P: 1.3045799
• Molar Refractivity: 68.1549 cm^3
• Polarizability: 26.72394 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