{3-[2-(morpholin-4-yl)ethoxy]phenyl}methanamine

• ChemBase ID: 91238
• Molecular Formular: C13H20N2O2
• Molecular Mass: 236.3101
• Monoisotopic Mass: 236.15247789
• SMILES: O1CCN(CC1)CCOc1cccc(c1)CN
• Canonical SMILES: NCc1cccc(c1)OCCN1CCOCC1
• InChI: InChI=1S/C13H20N2O2/c14-11-12-2-1-3-13(10-12)17-9-6-15-4-7-16-8-5-15/h1-3,10H,4-9,11,14H2
• InChIKey: KRJWFDTWNMICLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[2-(morpholin-4-yl)ethoxy]phenyl}methanamine
• IUPAC Traditional name: {3-[2-(morpholin-4-yl)ethoxy]phenyl}methanamine
• Synonyms: [3-(2-morpholinoethoxy)phenyl]methylamine; {3-[2-(Morpholin-4-yl)ethoxy]phenyl}methylamine; 3-[2-(Morpholin-4-yl)ethoxy]benzylamine 95%; {3-[2-(morpholin-4-yl)ethoxy]phenyl}methanamine

Database IDs

• CAS Number: 857284-08-3
• MDL Number: MFCD07772847
• PubChem SID: 162077942
• PubChem CID: 7164624

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.4217908
• LogD (pH = 7.4): -1.3169968
• Log P: 0.7414871
• Molar Refractivity: 68.0882 cm^3
• Polarizability: 26.90816 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

Safety Information

• Storage Warning: Corrosive/Air Sensitive/Store under Argon

Product Information

• Purity: 95%