[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine

• ChemBase ID: 260302
• Molecular Formular: C13H19FN2O
• Molecular Mass: 238.3011632
• Monoisotopic Mass: 238.14814146
• SMILES: N1(c2c(cc(cc2)CN)F)CC(OC(C1)C)C
• Canonical SMILES: NCc1ccc(c(c1)F)N1CC(C)OC(C1)C
• InChI: InChI=1S/C13H19FN2O/c1-9-7-16(8-10(2)17-9)13-4-3-11(6-15)5-12(13)14/h3-5,9-10H,6-8,15H2,1-2H3
• InChIKey: RQXUTJPPGWZYLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine
• IUPAC Traditional name: [4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine
• Synonyms: [4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine

Database IDs

• MDL Number: MFCD11191630
• PubChem SID: 164316212
• PubChem CID: 43122235

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0184556
• LogD (pH = 7.4): -0.041039504
• Log P: 1.9644096
• Molar Refractivity: 67.0885 cm^3
• Polarizability: 25.501581 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.266

Product Information

• Purity: 95%