4-{[ethyl(pentyl)amino]methyl}aniline

• ChemBase ID: 284179
• Molecular Formular: C14H24N2
• Molecular Mass: 220.35376
• Monoisotopic Mass: 220.19394878
• SMILES: N(Cc1ccc(N)cc1)(CC)CCCCC
• Canonical SMILES: CCCCCN(Cc1ccc(cc1)N)CC
• InChI: InChI=1S/C14H24N2/c1-3-5-6-11-16(4-2)12-13-7-9-14(15)10-8-13/h7-10H,3-6,11-12,15H2,1-2H3
• InChIKey: IYUMQWXZBGUUDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[ethyl(pentyl)amino]methyl}aniline
• IUPAC Traditional name: 4-{[ethyl(pentyl)amino]methyl}aniline
• Synonyms: 4-{[ethyl(pentyl)amino]methyl}aniline

Database IDs

• MDL Number: MFCD12174934
• PubChem SID: 180669710
• PubChem CID: 43458850

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2569913
• LogD (pH = 7.4): 0.6723986
• Log P: 3.2109923
• Molar Refractivity: 72.5243 cm^3
• Polarizability: 27.784689 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.394

Product Information

• Purity: 95%