[1-(2-bromophenyl)cyclopropyl]methanamine

• ChemBase ID: 278691
• Molecular Formular: C10H12BrN
• Molecular Mass: 226.11298
• Monoisotopic Mass: 225.01531139
• SMILES: C1(CC1)(c1c(Br)cccc1)CN
• Canonical SMILES: NCC1(CC1)c1ccccc1Br
• InChI: InChI=1S/C10H12BrN/c11-9-4-2-1-3-8(9)10(7-12)5-6-10/h1-4H,5-7,12H2
• InChIKey: NHHOPIJRDVTHTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-bromophenyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(2-bromophenyl)cyclopropyl]methanamine
• Synonyms: [1-(2-bromophenyl)cyclopropyl]methanamine; C-[1-(2-BROMO-PHENYL)-CYCLOPROPYL]-METHYLAMINE

Database IDs

• MDL Number: MFCD07374419
• PubChem SID: 164334601
• PubChem CID: 54594958

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5439171
• LogD (pH = 7.4): 0.4564043
• Log P: 2.4356759
• Molar Refractivity: 53.9767 cm^3
• Polarizability: 21.12315 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.73

Product Information

• Purity: 95%; 98%