[2-(4-bromophenoxy)ethyl]bis(2-methoxyethyl)amine

• ChemBase ID: 273162
• Molecular Formular: C14H22BrNO3
• Molecular Mass: 332.23338
• Monoisotopic Mass: 331.07830557
• SMILES: c1(Br)ccc(cc1)OCCN(CCOC)CCOC
• Canonical SMILES: COCCN(CCOC)CCOc1ccc(cc1)Br
• InChI: InChI=1S/C14H22BrNO3/c1-17-10-7-16(8-11-18-2)9-12-19-14-5-3-13(15)4-6-14/h3-6H,7-12H2,1-2H3
• InChIKey: NSKSYOZNDUSKRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-bromophenoxy)ethyl]bis(2-methoxyethyl)amine
• IUPAC Traditional name: [2-(4-bromophenoxy)ethyl]bis(2-methoxyethyl)amine
• Synonyms: [2-(4-bromophenoxy)ethyl]bis(2-methoxyethyl)amine

Database IDs

• MDL Number: MFCD06304684
• PubChem SID: 164329072
• PubChem CID: 5262028

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.07517778
• LogD (pH = 7.4): 1.6979429
• Log P: 2.5090206
• Molar Refractivity: 80.2501 cm^3
• Polarizability: 31.419088 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.858

Product Information

• Purity: 95%