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

• ChemBase ID: 264630
• Molecular Formular: C13H22Cl2N2O2
• Molecular Mass: 309.23198
• Monoisotopic Mass: 308.10583331
• SMILES: N1(CCOc2c(CN)cccc2)CCOCC1.Cl.Cl
• Canonical SMILES: NCc1ccccc1OCCN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C13H20N2O2.2ClH/c14-11-12-3-1-2-4-13(12)17-10-7-15-5-8-16-9-6-15;;/h1-4H,5-11,14H2;2*1H
• InChIKey: RQOVRKAMOVSUSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705614
• PubChem SID: 164320540
• PubChem CID: 47002249

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%