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

• ChemBase ID: 244081
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(cc(cc(c1)C)N)CN(C)C
• Canonical SMILES: CN(Cc1cc(C)cc(c1)N)C
• InChI: InChI=1S/C10H16N2/c1-8-4-9(7-12(2)3)6-10(11)5-8/h4-6H,7,11H2,1-3H3
• InChIKey: GEBYHBHCQFEPGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(dimethylamino)methyl]-5-methylaniline
• IUPAC Traditional name: 3-[(dimethylamino)methyl]-5-methylaniline
• Synonyms: 3-[(dimethylamino)methyl]-5-methylaniline

Database IDs

• MDL Number: MFCD20691537
• PubChem SID: 164299991
• PubChem CID: 67304819

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6766809
• LogD (pH = 7.4): -0.13647147
• Log P: 1.599138
• Molar Refractivity: 54.3423 cm^3
• Polarizability: 20.316133 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.248

Product Information

• Purity: 95%