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

• ChemBase ID: 91227
• Molecular Formular: C14H22N2O2
• Molecular Mass: 250.33668
• Monoisotopic Mass: 250.16812795
• SMILES: O1CCN(CC1)CCOc1cccc(c1)CNC
• Canonical SMILES: CNCc1cccc(c1)OCCN1CCOCC1
• InChI: InChI=1S/C14H22N2O2/c1-15-12-13-3-2-4-14(11-13)18-10-7-16-5-8-17-9-6-16/h2-4,11,15H,5-10,12H2,1H3
• InChIKey: WLONZMUSMQJGID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)amine
• IUPAC Traditional name: methyl({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)amine
• Synonyms: N-methyl-N-[3-(2-morpholin-4-ylethoxy)benzyl]amine; N-Methyl-N-[3-(2-morpholin-4-ylethoxy)benzyl]amine 97%

Database IDs

• CAS Number: 857284-10-7
• MDL Number: MFCD08060519
• PubChem SID: 162077931
• PubChem CID: 7537548

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1836243
• LogD (pH = 7.4): -0.99024004
• Log P: 1.1740675
• Molar Refractivity: 72.8628 cm^3
• Polarizability: 28.751526 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 170-172°C

Product Information

• Purity: 97%