2-methyl-4-(2-methylpiperidin-1-yl)aniline

• ChemBase ID: 47873
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(c2cc(c(cc2)N)C)C(C)CCCC1
• Canonical SMILES: CC1CCCCN1c1ccc(c(c1)C)N
• InChI: InChI=1S/C13H20N2/c1-10-9-12(6-7-13(10)14)15-8-4-3-5-11(15)2/h6-7,9,11H,3-5,8,14H2,1-2H3
• InChIKey: TZGRJKIRIAWBQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(2-methylpiperidin-1-yl)aniline
• IUPAC Traditional name: 2-methyl-4-(2-methylpiperidin-1-yl)aniline
• Synonyms: 2-Methyl-4-(2-methyl-1-piperidinyl)aniline; 2-methyl-4-(2-methylpiperidin-1-yl)aniline

Database IDs

• MDL Number: MFCD12169091
• PubChem SID: 162052636
• PubChem CID: 43384883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1685882
• LogD (pH = 7.4): 2.73753
• Log P: 3.0327263
• Molar Refractivity: 66.789 cm^3
• Polarizability: 24.715555 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.721

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%