2-(2-phenylmorpholin-4-yl)ethan-1-amine

• ChemBase ID: 118324
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(CC(OCC1)c1ccccc1)CCN
• Canonical SMILES: NCCN1CCOC(C1)c1ccccc1
• InChI: InChI=1S/C12H18N2O/c13-6-7-14-8-9-15-12(10-14)11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
• InChIKey: JUHWGRNPJSAOJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylmorpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-phenylmorpholin-4-yl)ethanamine
• Synonyms: [2-(2-phenylmorpholin-4-yl)ethyl]amine

Database IDs

• MDL Number: MFCD11592818
• PubChem SID: 162098683
• PubChem CID: 44116830

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1046221
• LogD (pH = 7.4): -0.98276025
• Log P: 0.95892537
• Molar Refractivity: 61.2952 cm^3
• Polarizability: 24.403477 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.726

Product Information

• Purity: 95+%