2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethan-1-amine

• ChemBase ID: 270409
• Molecular Formular: C14H21ClN2O
• Molecular Mass: 268.78234
• Monoisotopic Mass: 268.13424098
• SMILES: N1(C(c2ccc(cc2)Cl)CN)CC(OCC1)(C)C
• Canonical SMILES: NCC(c1ccc(cc1)Cl)N1CCOC(C1)(C)C
• InChI: InChI=1S/C14H21ClN2O/c1-14(2)10-17(7-8-18-14)13(9-16)11-3-5-12(15)6-4-11/h3-6,13H,7-10,16H2,1-2H3
• InChIKey: UCZJWHCFSRHCMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanamine
• Synonyms: 2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD12080697
• PubChem SID: 164326319
• PubChem CID: 43592591

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6707067
• LogD (pH = 7.4): 0.72526777
• Log P: 2.2601218
• Molar Refractivity: 75.157 cm^3
• Polarizability: 29.93271 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.872

Product Information

• Purity: 95%