2-(4-bromophenyl)-2-ethylcyclopropan-1-amine hydrochloride

• ChemBase ID: 241135
• Molecular Formular: C11H15BrClN
• Molecular Mass: 276.6005
• Monoisotopic Mass: 275.00763917
• SMILES: C1(CC1N)(c1ccc(cc1)Br)CC.Cl
• Canonical SMILES: CCC1(CC1N)c1ccc(cc1)Br.Cl
• InChI: InChI=1S/C11H14BrN.ClH/c1-2-11(7-10(11)13)8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H
• InChIKey: AIVNTXCRQPDQRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenyl)-2-ethylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(4-bromophenyl)-2-ethylcyclopropan-1-amine hydrochloride
• Synonyms: 2-(4-bromophenyl)-2-ethylcyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22421821
• PubChem SID: 164297045
• PubChem CID: 71756718

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.03067426
• LogD (pH = 7.4): 1.0785899
• Log P: 2.9302046
• Molar Refractivity: 58.3185 cm^3
• Polarizability: 22.949713 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 - 217°C
• Hydrophobicity(logP): 3.389

Product Information

• Purity: 95%