methyl[2-methyl-1-(2-methylphenyl)propyl]amine

• ChemBase ID: 273850
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: c1(C(NC)C(C)C)c(C)cccc1
• Canonical SMILES: CNC(c1ccccc1C)C(C)C
• InChI: InChI=1S/C12H19N/c1-9(2)12(13-4)11-8-6-5-7-10(11)3/h5-9,12-13H,1-4H3
• InChIKey: LBDFWZDQEYNLGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-methyl-1-(2-methylphenyl)propyl]amine
• IUPAC Traditional name: methyl[2-methyl-1-(2-methylphenyl)propyl]amine
• Synonyms: methyl[2-methyl-1-(2-methylphenyl)propyl]amine

Database IDs

• MDL Number: MFCD12154441
• PubChem SID: 164329760
• PubChem CID: 54592945

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.12475422
• LogD (pH = 7.4): 0.7401341
• Log P: 3.3490863
• Molar Refractivity: 57.7616 cm^3
• Polarizability: 22.902134 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.196

Product Information

• Purity: 95%