{2-[2-(morpholin-4-yl)ethoxy]phenyl}methanamine

• ChemBase ID: 101250
• Molecular Formular: C13H20N2O2
• Molecular Mass: 236.3101
• Monoisotopic Mass: 236.15247789
• SMILES: N1(CCOc2c(CN)cccc2)CCOCC1
• Canonical SMILES: NCc1ccccc1OCCN1CCOCC1
• InChI: InChI=1S/C13H20N2O2/c14-11-12-3-1-2-4-13(12)17-10-7-15-5-8-16-9-6-15/h1-4H,5-11,14H2
• InChIKey: QHAMTJRGPZWTSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2-(morpholin-4-yl)ethoxy]phenyl}methanamine
• IUPAC Traditional name: {2-[2-(morpholin-4-yl)ethoxy]phenyl}methanamine
• Synonyms: [2-(2-morpholinoethoxy)phenyl]methylamine; {2-[2-(morpholin-4-yl)ethoxy]phenyl}methanamine

Database IDs

• CAS Number: 540753-13-7
• MDL Number: MFCD08060517
• PubChem SID: 162086746
• PubChem CID: 7537544

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.23782
• LogD (pH = 7.4): -0.87331206
• Log P: 0.7414871
• Molar Refractivity: 68.0882 cm^3
• Polarizability: 26.90837 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.132

Product Information

• Purity: 95%; 97%