3-amino-5,6,7,8-tetrahydronaphthalen-2-ol

• ChemBase ID: 122848
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: c1(c(cc2c(c1)CCCC2)O)N
• Canonical SMILES: Nc1cc2CCCCc2cc1O
• InChI: InChI=1S/C10H13NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h5-6,12H,1-4,11H2
• InChIKey: PYACPVPEDYPRRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5,6,7,8-tetrahydronaphthalen-2-ol
• IUPAC Traditional name: 3-amino-5,6,7,8-tetrahydronaphthalen-2-ol
• Synonyms: 3-amino-5,6,7,8-tetrahydronaphthalen-2-ol

Database IDs

• PubChem SID: 162217201
• PubChem CID: 4361367

CALCULATED PROPERTIES

• Acid pKa: 10.692362
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1800365
• LogD (pH = 7.4): 2.2910807
• Log P: 2.2930088
• Molar Refractivity: 50.2215 cm^3
• Polarizability: 18.553549 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true