5-methyl-2-(2-methylpiperidin-1-yl)aniline

• ChemBase ID: 47691
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(c2c(cc(cc2)C)N)C(C)CCCC1
• Canonical SMILES: Cc1ccc(c(c1)N)N1CCCCC1C
• InChI: InChI=1S/C13H20N2/c1-10-6-7-13(12(14)9-10)15-8-4-3-5-11(15)2/h6-7,9,11H,3-5,8,14H2,1-2H3
• InChIKey: SKIXZIHSNVILJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-(2-methylpiperidin-1-yl)aniline
• IUPAC Traditional name: 5-methyl-2-(2-methylpiperidin-1-yl)aniline
• Synonyms: 5-Methyl-2-(2-methyl-1-piperidinyl)aniline

Database IDs

• MDL Number: MFCD11643968
• PubChem SID: 162052454
• PubChem CID: 17605653

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6619349
• LogD (pH = 7.4): 3.0254045
• Log P: 3.0327263
• Molar Refractivity: 66.789 cm^3
• Polarizability: 24.71633 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false