5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methanamine

• ChemBase ID: 251911
• Molecular Formular: C15H17NS
• Molecular Mass: 243.36718
• Monoisotopic Mass: 243.10817055
• SMILES: c1(C(c2cc3c(cc2)CCCC3)N)sccc1
• Canonical SMILES: NC(c1cccs1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C15H17NS/c16-15(14-6-3-9-17-14)13-8-7-11-4-1-2-5-12(11)10-13/h3,6-10,15H,1-2,4-5,16H2
• InChIKey: IOGVVFMJPWFFGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methanamine
• IUPAC Traditional name: 5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methanamine
• Synonyms: 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-1-thien-2-ylmethanamine

Database IDs

• MDL Number: MFCD07838418
• PubChem SID: 164307821
• PubChem CID: 16227043

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4968836
• LogD (pH = 7.4): 3.053956
• Log P: 4.24839
• Molar Refractivity: 73.1863 cm^3
• Polarizability: 28.435774 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.66

Product Information

• Purity: 95%