2-[(methylamino)methyl]aniline

• ChemBase ID: 235085
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1(c(N)cccc1)CNC
• Canonical SMILES: CNCc1ccccc1N
• InChI: InChI=1S/C8H12N2/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6,9H2,1H3
• InChIKey: KNHJWNJISZHGDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(methylamino)methyl]aniline
• IUPAC Traditional name: 2-[(methylamino)methyl]aniline
• Synonyms: 2-[(methylamino)methyl]aniline

Database IDs

• MDL Number: MFCD09965832
• PubChem SID: 164290995
• PubChem CID: 11815410

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4584222
• LogD (pH = 7.4): -1.3044912
• Log P: 0.70266867
• Molar Refractivity: 44.0064 cm^3
• Polarizability: 16.703613 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.233

Product Information

• Purity: 95%