2-methyl-3-(thiophen-2-yl)propan-1-amine

• ChemBase ID: 279505
• Molecular Formular: C8H13NS
• Molecular Mass: 155.26052
• Monoisotopic Mass: 155.07687042
• SMILES: s1c(ccc1)CC(CN)C
• Canonical SMILES: NCC(Cc1cccs1)C
• InChI: InChI=1S/C8H13NS/c1-7(6-9)5-8-3-2-4-10-8/h2-4,7H,5-6,9H2,1H3
• InChIKey: GISIZJQNOSILIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(thiophen-2-yl)propan-1-amine
• IUPAC Traditional name: 2-methyl-3-(thiophen-2-yl)propan-1-amine
• Synonyms: 2-methyl-3-(thiophen-2-yl)propan-1-amine

Database IDs

• MDL Number: MFCD09894553
• PubChem SID: 164335415
• PubChem CID: 24264742

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9105305
• LogD (pH = 7.4): -0.4028786
• Log P: 2.1100984
• Molar Refractivity: 45.4029 cm^3
• Polarizability: 17.78912 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.857

Product Information

• Purity: 95%