2-(4-fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine hydrochloride

• ChemBase ID: 24098
• Molecular Formular: C12H18ClFN2O
• Molecular Mass: 260.7355232
• Monoisotopic Mass: 260.10916911
• SMILES: N1(C(c2ccc(cc2)F)CN)CCOCC1.Cl
• Canonical SMILES: NCC(c1ccc(cc1)F)N1CCOCC1.Cl
• InChI: InChI=1S/C12H17FN2O.ClH/c13-11-3-1-10(2-4-11)12(9-14)15-5-7-16-8-6-15;/h1-4,12H,5-9,14H2;1H
• InChIKey: UBWSOVNEIZXRNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(4-fluorophenyl)-2-(morpholin-4-yl)ethanamine hydrochloride
• Synonyms: 2-(4-Fluoro-phenyl)-2-morpholin-4-yl-ethylamine hydrochloride

Database IDs

• MDL Number: MFCD09997645
• PubChem SID: 160987405
• PubChem CID: 46735975

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8114697
• LogD (pH = 7.4): -0.4467295
• Log P: 1.1016273
• Molar Refractivity: 61.5116 cm^3
• Polarizability: 24.043478 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false