2-methyl-4-[2-(piperidin-1-yl)ethoxy]aniline

• ChemBase ID: 20507
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: N1(CCOc2cc(c(cc2)N)C)CCCCC1
• Canonical SMILES: Nc1ccc(cc1C)OCCN1CCCCC1
• InChI: InChI=1S/C14H22N2O/c1-12-11-13(5-6-14(12)15)17-10-9-16-7-3-2-4-8-16/h5-6,11H,2-4,7-10,15H2,1H3
• InChIKey: UEAXHNYDRAPDOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-[2-(piperidin-1-yl)ethoxy]aniline
• IUPAC Traditional name: 2-methyl-4-[2-(piperidin-1-yl)ethoxy]aniline
• Synonyms: 2-Methyl-4-[2-(1-piperidinyl)ethoxy]phenylamine

Database IDs

• MDL Number: MFCD08688356
• PubChem SID: 160983814
• PubChem CID: 26190277

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8847553
• LogD (pH = 7.4): 0.7649291
• Log P: 2.3690805
• Molar Refractivity: 72.4239 cm^3
• Polarizability: 27.608114 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false