2-(3-methoxyphenyl)morpholine

• ChemBase ID: 240147
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: c1(cc(OC)ccc1)C1OCCNC1
• Canonical SMILES: COc1cccc(c1)C1CNCCO1
• InChI: InChI=1S/C11H15NO2/c1-13-10-4-2-3-9(7-10)11-8-12-5-6-14-11/h2-4,7,11-12H,5-6,8H2,1H3
• InChIKey: NTLJFWAWNVWBLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)morpholine
• IUPAC Traditional name: 2-(3-methoxyphenyl)morpholine
• Synonyms: 2-(3-methoxyphenyl)morpholine

Database IDs

• CAS Number: 1017395-60-6
• MDL Number: MFCD09901452
• PubChem SID: 164296057
• PubChem CID: 24271516

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2840049
• LogD (pH = 7.4): 0.45032966
• Log P: 1.21519
• Molar Refractivity: 54.5139 cm^3
• Polarizability: 21.694004 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.069

Product Information

• Purity: 95%; 98%