(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

• ChemBase ID: 178400
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: c1cc(c2c(c1)C[C@H](CC2)NCCC)O
• Canonical SMILES: CCCN[C@H]1CCc2c(C1)cccc2O
• InChI: InChI=1S/C13H19NO/c1-2-8-14-11-6-7-12-10(9-11)4-3-5-13(12)15/h3-5,11,14-15H,2,6-9H2,1H3/t11-/m0/s1
• InChIKey: VCYPZWCFSAHTQT-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
• IUPAC Traditional name: (6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
• Synonyms: (-)-5-Hydroxy-N-n-propyl-2-aminotetralin; (S)-(-)-5-Hydroxy-N-n-propyl-2-aminotetralin; (S)-5,6,7,8-Tetrahydro-6-propylamino-1-naphthalenol; (6S)-5,6,7,8-Tetrahydro-6-(propylamino)-1-naphthalenol

Database IDs

• CAS Number: 101470-23-9
• PubChem SID: 164234310
• PubChem CID: 10219902

CALCULATED PROPERTIES

• Acid pKa: 10.013524
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.29276708
• LogD (pH = 7.4): 0.12327414
• Log P: 2.1948438
• Molar Refractivity: 62.8953 cm^3
• Polarizability: 24.481915 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Off-White Solid

DETAILS

Toronto Research Chemicals - T294455

A substituted tetralin used in the production of antiparkinson medications

REFERENCES

• Swart, P., et al.: J. Anal. Toxicol., 18, 71 (1994)
• Biswas, S., et al.: J. Med. Chem., 51, 101 (1994)