(2,2-dimethyl-1-phenylpropyl)(methyl)amine

• ChemBase ID: 280098
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: C(C(C)(C)C)(c1ccccc1)NC
• Canonical SMILES: CNC(C(C)(C)C)c1ccccc1
• InChI: InChI=1S/C12H19N/c1-12(2,3)11(13-4)10-8-6-5-7-9-10/h5-9,11,13H,1-4H3
• InChIKey: FQKIRADYUBMZIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethyl-1-phenylpropyl)(methyl)amine
• IUPAC Traditional name: (2,2-dimethyl-1-phenylpropyl)(methyl)amine
• Synonyms: N,2,2-trimethyl-1-phenylpropan-1-amine

Database IDs

• MDL Number: MFCD09040682
• PubChem SID: 180665629
• PubChem CID: 11126819

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.0036990014
• LogD (pH = 7.4): 0.72200346
• Log P: 3.2136657
• Molar Refractivity: 57.1185 cm^3
• Polarizability: 22.984205 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.146

Product Information

• Purity: 95%