(2,2-dimethyl-1-phenylcyclopropyl)methanamine

• ChemBase ID: 306630
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: C1(C(C1)(C)C)(c1ccccc1)CN
• Canonical SMILES: NCC1(CC1(C)C)c1ccccc1
• InChI: InChI=1S/C12H17N/c1-11(2)8-12(11,9-13)10-6-4-3-5-7-10/h3-7H,8-9,13H2,1-2H3
• InChIKey: WOSHSQQCFZHNIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethyl-1-phenylcyclopropyl)methanamine
• IUPAC Traditional name: (2,2-dimethyl-1-phenylcyclopropyl)methanamine
• Synonyms: 1-(2,2-dimethyl-1-phenylcyclopropyl)methanamine

Database IDs

• CAS Number: 884091-19-4
• MDL Number: MFCD02632337

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.23683652
• Log P: 2.2539895
• Molar Refractivity: 55.3776 cm^3
• Polarizability: 22.156977 Å^3
• Polar Surface Area: 26.02 Å^2
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7302825