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

• ChemBase ID: 76192
• Molecular Formular: C12H17ClN2O
• Molecular Mass: 240.72918
• Monoisotopic Mass: 240.10294085
• SMILES: N1(C(c2ccccc2Cl)CN)CCOCC1
• Canonical SMILES: NCC(c1ccccc1Cl)N1CCOCC1
• InChI: InChI=1S/C12H17ClN2O/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2
• InChIKey: OJHPTRVTZGOWAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)-2-(morpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-chlorophenyl)-2-(morpholin-4-yl)ethanamine
• Synonyms: 2-(2-Chlorophenyl)-2-morpholin-4-ylethylamine; 2-(2-chlorophenyl)-2-morpholin-4-ylethanamine

Database IDs

• CAS Number: 866782-01-6
• MDL Number: MFCD01631948
• PubChem SID: 162041100
• PubChem CID: 3847395

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3150747
• LogD (pH = 7.4): 0.09655215
• Log P: 1.56297
• Molar Refractivity: 66.1 cm^3
• Polarizability: 26.25462 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.834

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%