[(2,2-dimethyl-1-phenylcyclopropyl)methyl](methyl)amine

• ChemBase ID: 306629
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C1(C(C1)(C)C)(c1ccccc1)CNC
• Canonical SMILES: CNCC1(CC1(C)C)c1ccccc1
• InChI: InChI=1S/C13H19N/c1-12(2)9-13(12,10-14-3)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
• InChIKey: ZLYQUZYIAHGRFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,2-dimethyl-1-phenylcyclopropyl)methyl](methyl)amine
• IUPAC Traditional name: [(2,2-dimethyl-1-phenylcyclopropyl)methyl](methyl)amine
• Synonyms: 1-(2,2-dimethyl-1-phenylcyclopropyl)-N-methylmethanamine

Database IDs

• CAS Number: 884091-04-7
• MDL Number: MFCD02632320

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.53500044
• LogD (pH = 7.4): 0.12775178
• Log P: 2.68657
• Molar Refractivity: 60.1522 cm^3
• Polarizability: 24.004005 Å^3
• Polar Surface Area: 12.03 Å^2