{2-[(3-bromophenyl)amino]ethyl}dimethylamine

• ChemBase ID: 262072
• Molecular Formular: C10H15BrN2
• Molecular Mass: 243.1435
• Monoisotopic Mass: 242.04186049
• SMILES: c1c(NCCN(C)C)cccc1Br
• Canonical SMILES: CN(CCNc1cccc(c1)Br)C
• InChI: InChI=1S/C10H15BrN2/c1-13(2)7-6-12-10-5-3-4-9(11)8-10/h3-5,8,12H,6-7H2,1-2H3
• InChIKey: NTMUDWQRSUZEMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(3-bromophenyl)amino]ethyl}dimethylamine
• IUPAC Traditional name: {2-[(3-bromophenyl)amino]ethyl}dimethylamine
• Synonyms: {2-[(3-bromophenyl)amino]ethyl}dimethylamine

Database IDs

• MDL Number: MFCD11153156
• PubChem SID: 164317982
• PubChem CID: 28581237

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9283828
• LogD (pH = 7.4): 0.6982174
• Log P: 2.233421
• Molar Refractivity: 61.8937 cm^3
• Polarizability: 23.071918 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.014

Product Information

• Purity: 95%