1-(4-aminophenyl)-2-(morpholin-4-yl)ethan-1-ol

• ChemBase ID: 31697
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: N1(CC(c2ccc(N)cc2)O)CCOCC1
• Canonical SMILES: OC(c1ccc(cc1)N)CN1CCOCC1
• InChI: InChI=1S/C12H18N2O2/c13-11-3-1-10(2-4-11)12(15)9-14-5-7-16-8-6-14/h1-4,12,15H,5-9,13H2
• InChIKey: HYMAFXVXPWDVBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminophenyl)-2-(morpholin-4-yl)ethan-1-ol
• IUPAC Traditional name: 1-(4-aminophenyl)-2-(morpholin-4-yl)ethanol
• Synonyms: 1-(4-Amino-phenyl)-2-morpholin-4-yl-ethanol; 1-(4-aminophenyl)-2-morpholinoethanol

Database IDs

• MDL Number: MFCD08690216
• PubChem SID: 160995004
• PubChem CID: 16767307

CALCULATED PROPERTIES

• Acid pKa: 14.218674
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.21063
• LogD (pH = 7.4): 0.11115453
• Log P: 0.23688124
• Molar Refractivity: 64.3381 cm^3
• Polarizability: 24.620356 Å^3
• Polar Surface Area: 58.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false