5-[(dimethylamino)methyl]-2-methylaniline

• ChemBase ID: 234881
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(cc(CN(C)C)ccc1C)N
• Canonical SMILES: CN(Cc1ccc(c(c1)N)C)C
• InChI: InChI=1S/C10H16N2/c1-8-4-5-9(6-10(8)11)7-12(2)3/h4-6H,7,11H2,1-3H3
• InChIKey: LUMHJHNXEBFVTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(dimethylamino)methyl]-2-methylaniline
• IUPAC Traditional name: 5-[(dimethylamino)methyl]-2-methylaniline
• Synonyms: 5-[(dimethylamino)methyl]-2-methylaniline

Database IDs

• MDL Number: MFCD10021452
• PubChem SID: 164290791
• PubChem CID: 13774682

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6781102
• LogD (pH = 7.4): -0.15725687
• Log P: 1.599138
• Molar Refractivity: 54.3423 cm^3
• Polarizability: 20.316114 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 66 - 68°C
• Hydrophobicity(logP): 1.198

Product Information

• Purity: 95%