2-(aminomethyl)-N,N,5-trimethylaniline

• ChemBase ID: 236453
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(c(ccc(c1)C)CN)N(C)C
• Canonical SMILES: NCc1ccc(cc1N(C)C)C
• InChI: InChI=1S/C10H16N2/c1-8-4-5-9(7-11)10(6-8)12(2)3/h4-6H,7,11H2,1-3H3
• InChIKey: JKNGZNBZHCLBNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)-N,N,5-trimethylaniline
• IUPAC Traditional name: 2-(aminomethyl)-N,N,5-trimethylaniline
• Synonyms: 2-(aminomethyl)-N,N,5-trimethylaniline

Database IDs

• MDL Number: MFCD16704806
• PubChem SID: 164292363
• PubChem CID: 62307745

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2151886
• LogD (pH = 7.4): 0.016554747
• Log P: 1.7204795
• Molar Refractivity: 54.0012 cm^3
• Polarizability: 20.314888 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.758

Product Information

• Purity: 95%