{[1-(4-bromophenyl)cyclopropyl]methyl}(methyl)amine hydrochloride

• ChemBase ID: 278620
• Molecular Formular: C11H15BrClN
• Molecular Mass: 276.6005
• Monoisotopic Mass: 275.00763917
• SMILES: C1(CC1)(c1ccc(cc1)Br)CNC.Cl
• Canonical SMILES: CNCC1(CC1)c1ccc(cc1)Br.Cl
• InChI: InChI=1S/C11H14BrN.ClH/c1-13-8-11(6-7-11)9-2-4-10(12)5-3-9;/h2-5,13H,6-8H2,1H3;1H
• InChIKey: JZIMFVAHAHDYEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(4-bromophenyl)cyclopropyl]methyl}(methyl)amine hydrochloride
• IUPAC Traditional name: {[1-(4-bromophenyl)cyclopropyl]methyl}(methyl)amine hydrochloride
• Synonyms: {[1-(4-bromophenyl)cyclopropyl]methyl}(methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD20233486
• PubChem SID: 164334530
• PubChem CID: 53626273

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.35016003
• LogD (pH = 7.4): 0.36069754
• Log P: 2.8682563
• Molar Refractivity: 58.7513 cm^3
• Polarizability: 22.949951 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.876

Product Information

• Purity: 95%