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

• ChemBase ID: 101253
• Molecular Formular: C13H20N2O2
• Molecular Mass: 236.3101
• Monoisotopic Mass: 236.15247789
• SMILES: N1(CCOc2ccc(cc2)CN)CCOCC1
• Canonical SMILES: NCc1ccc(cc1)OCCN1CCOCC1
• InChI: InChI=1S/C13H20N2O2/c14-11-12-1-3-13(4-2-12)17-10-7-15-5-8-16-9-6-15/h1-4H,5-11,14H2
• InChIKey: KMSJKJIIAVTIKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 140836-69-7
• MDL Number: MFCD07772849
• PubChem SID: 162089163
• PubChem CID: 7164631

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.4363265
• LogD (pH = 7.4): -1.3829504
• Log P: 0.7414871
• Molar Refractivity: 68.0882 cm^3
• Polarizability: 26.908127 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%