2-(3-fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine

• ChemBase ID: 264785
• Molecular Formular: C12H17FN2O
• Molecular Mass: 224.2745832
• Monoisotopic Mass: 224.13249139
• SMILES: N1(C(c2cc(F)ccc2)CN)CCOCC1
• Canonical SMILES: NCC(c1cccc(c1)F)N1CCOCC1
• InChI: InChI=1S/C12H17FN2O/c13-11-3-1-2-10(8-11)12(9-14)15-4-6-16-7-5-15/h1-3,8,12H,4-7,9,14H2
• InChIKey: HQHPLUZEYNYOLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(3-fluorophenyl)-2-(morpholin-4-yl)ethanamine
• Synonyms: 2-(3-fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD09728993
• PubChem SID: 164320695
• PubChem CID: 16782295

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7979612
• LogD (pH = 7.4): -0.40448216
• Log P: 1.1016273
• Molar Refractivity: 61.5116 cm^3
• Polarizability: 24.043463 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.264

Product Information

• Purity: 95%