2-(morpholin-4-yl)-2-phenylethan-1-amine

• ChemBase ID: 24020
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(C(c2ccccc2)CN)CCOCC1
• Canonical SMILES: NCC(c1ccccc1)N1CCOCC1
• InChI: InChI=1S/C12H18N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h1-5,12H,6-10,13H2
• InChIKey: WSNSRJWLIVDXDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-2-phenylethan-1-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)-2-phenylethanamine
• Synonyms: 2-morpholin-4-yl-2-phenylethanamine; 2-Morpholin-4-yl-2-phenyl-ethylamine; 2-(Morpholin-4-yl)-2-phenylethylamine

Database IDs

• CAS Number: 31466-44-1
• MDL Number: MFCD01631944
• PubChem SID: 160987327
• PubChem CID: 3158583

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.078532
• LogD (pH = 7.4): -0.5920588
• Log P: 0.95892537
• Molar Refractivity: 61.2952 cm^3
• Polarizability: 24.405287 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.121

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%