2-(2-methylphenyl)-2-(morpholin-4-yl)ethan-1-amine

• ChemBase ID: 31916
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N1(C(c2c(C)cccc2)CN)CCOCC1
• Canonical SMILES: NCC(c1ccccc1C)N1CCOCC1
• InChI: InChI=1S/C13H20N2O/c1-11-4-2-3-5-12(11)13(10-14)15-6-8-16-9-7-15/h2-5,13H,6-10,14H2,1H3
• InChIKey: LIARICFYQNWNPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylphenyl)-2-(morpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-methylphenyl)-2-(morpholin-4-yl)ethanamine
• Synonyms: 2-Morpholin-4-yl-2-o-tolyl-ethylamine

Database IDs

• MDL Number: MFCD09261975
• PubChem SID: 160995223
• PubChem CID: 16642700

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6291972
• LogD (pH = 7.4): -0.09584754
• Log P: 1.4723468
• Molar Refractivity: 66.3364 cm^3
• Polarizability: 26.171623 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false