[4-bromo-2-(morpholin-4-yl)phenyl]methanamine

• ChemBase ID: 240702
• Molecular Formular: C11H15BrN2O
• Molecular Mass: 271.1536
• Monoisotopic Mass: 270.03677511
• SMILES: c1(N2CCOCC2)c(ccc(c1)Br)CN
• Canonical SMILES: NCc1ccc(cc1N1CCOCC1)Br
• InChI: InChI=1S/C11H15BrN2O/c12-10-2-1-9(8-13)11(7-10)14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2
• InChIKey: JVRVLYRUSGTMPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-bromo-2-(morpholin-4-yl)phenyl]methanamine
• IUPAC Traditional name: [4-bromo-2-(morpholin-4-yl)phenyl]methanamine
• Synonyms: [4-bromo-2-(morpholin-4-yl)phenyl]methanamine

Database IDs

• MDL Number: MFCD11651880
• PubChem SID: 164296612
• PubChem CID: 43364908

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1536427
• LogD (pH = 7.4): 0.14261876
• Log P: 1.7573103
• Molar Refractivity: 65.6573 cm^3
• Polarizability: 24.92571 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.584

Product Information

• Purity: 95%