[(4-bromophenyl)methyl][2-(dimethylamino)ethyl]amine

• ChemBase ID: 262326
• Molecular Formular: C11H17BrN2
• Molecular Mass: 257.17008
• Monoisotopic Mass: 256.05751055
• SMILES: c1(Br)ccc(cc1)CNCCN(C)C
• Canonical SMILES: CN(CCNCc1ccc(cc1)Br)C
• InChI: InChI=1S/C11H17BrN2/c1-14(2)8-7-13-9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3
• InChIKey: LZFYBEIKDOCTHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-bromophenyl)methyl][2-(dimethylamino)ethyl]amine
• IUPAC Traditional name: [(4-bromophenyl)methyl][2-(dimethylamino)ethyl]amine
• Synonyms: [(4-bromophenyl)methyl][2-(dimethylamino)ethyl]amine

Database IDs

• MDL Number: MFCD07408130
• PubChem SID: 164318236
• PubChem CID: 3300601

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9069376
• LogD (pH = 7.4): 0.32917675
• Log P: 2.318992
• Molar Refractivity: 64.9479 cm^3
• Polarizability: 25.267412 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.753

Product Information

• Purity: 95%