N,N-dimethyl-3-[(methylamino)methyl]aniline

• ChemBase ID: 240849
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(N(C)C)cc(CNC)ccc1
• Canonical SMILES: CNCc1cccc(c1)N(C)C
• InChI: InChI=1S/C10H16N2/c1-11-8-9-5-4-6-10(7-9)12(2)3/h4-7,11H,8H2,1-3H3
• InChIKey: VRVPFMKTWWAPFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-[(methylamino)methyl]aniline
• IUPAC Traditional name: N,N-dimethyl-3-[(methylamino)methyl]aniline
• Synonyms: N,N-dimethyl-3-[(methylamino)methyl]aniline

Database IDs

• MDL Number: MFCD11212378
• PubChem SID: 164296759
• PubChem CID: 43163674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5903677
• LogD (pH = 7.4): -0.6528706
• Log P: 1.6396385
• Molar Refractivity: 53.7346 cm^3
• Polarizability: 20.395527 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.675

Product Information

• Purity: 95%