(propan-2-yl)(thiophen-2-ylmethyl)amine

• ChemBase ID: 255537
• Molecular Formular: C8H13NS
• Molecular Mass: 155.26052
• Monoisotopic Mass: 155.07687042
• SMILES: s1c(ccc1)CNC(C)C
• Canonical SMILES: CC(NCc1cccs1)C
• InChI: InChI=1S/C8H13NS/c1-7(2)9-6-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3
• InChIKey: SUZIRJQKJYVJCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (propan-2-yl)(thiophen-2-ylmethyl)amine
• IUPAC Traditional name: isopropyl(thiophen-2-ylmethyl)amine
• Synonyms: propan-2-yl(thiophen-2-ylmethyl)amine

Database IDs

• MDL Number: MFCD00728739
• PubChem SID: 164311447
• PubChem CID: 17052885

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9320081
• LogD (pH = 7.4): 0.2676384
• Log P: 2.217859
• Molar Refractivity: 45.3633 cm^3
• Polarizability: 17.869839 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.994

Product Information

• Purity: 95%