2-(4-chlorophenyl)-2-(morpholin-4-yl)ethan-1-amine

• ChemBase ID: 19087
• Molecular Formular: C12H17ClN2O
• Molecular Mass: 240.72918
• Monoisotopic Mass: 240.10294085
• SMILES: N1(C(c2ccc(cc2)Cl)CN)CCOCC1
• Canonical SMILES: NCC(c1ccc(cc1)Cl)N1CCOCC1
• InChI: InChI=1S/C12H17ClN2O/c13-11-3-1-10(2-4-11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2
• InChIKey: OIWUWMGJYGAUJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-2-(morpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-chlorophenyl)-2-(morpholin-4-yl)ethanamine
• Synonyms: 2-(4-chlorophenyl)-2-(morpholin-4-yl)ethan-1-amine; 2-(4-Chloro-phenyl)-2-morpholin-4-yl-ethylamine

Database IDs

• CAS Number: 866782-00-5
• MDL Number: MFCD08437446
• PubChem SID: 160982394
• PubChem CID: 16461923

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.029996725
• Log P: 1.56297
• Molar Refractivity: 66.1 cm^3
• Polarizability: 26.249498 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.33547

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.834

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%