3-{4-[(1R,2S)-2-aminocyclopropyl]phenyl}phenol

• ChemBase ID: 313210
• Molecular Formular: C15H15NO
• Molecular Mass: 225.2857
• Monoisotopic Mass: 225.11536411
• SMILES: c1cc(cc(c1)c1ccc(cc1)[C@@H]1[C@H](C1)N)O
• Canonical SMILES: N[C@H]1C[C@@H]1c1ccc(cc1)c1cccc(c1)O
• InChI: InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m1/s1
• InChIKey: DSOJSZXQRJGBCW-CABCVRRESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{4-[(1R,2S)-2-aminocyclopropyl]phenyl}phenol
• IUPAC Traditional name: 3-{4-[(1R,2S)-2-aminocyclopropyl]phenyl}phenol
• Synonyms: OG-L002

Database IDs

• CAS Number: 1357302-64-7

CALCULATED PROPERTIES

• Acid pKa: 10.039672
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.31391606
• LogD (pH = 7.4): 0.5486391
• Log P: 2.171096
• Molar Refractivity: 68.8137 cm^3
• Polarizability: 28.224096 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Histone demethylases

Product Information

• Salt Data: Free Base