benzyl(tridecan-2-yl)amine

• ChemBase ID: 109237
• Molecular Formular: C20H35N
• Molecular Mass: 289.4986
• Monoisotopic Mass: 289.27695013
• SMILES: CCCCCCCCCCCC(C)NCc1ccccc1
• Canonical SMILES: CCCCCCCCCCCC(NCc1ccccc1)C
• InChI: InChI=1S/C20H35N/c1-3-4-5-6-7-8-9-10-12-15-19(2)21-18-20-16-13-11-14-17-20/h11,13-14,16-17,19,21H,3-10,12,15,18H2,1-2H3
• InChIKey: JUARPGXKJLXOCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(tridecan-2-yl)amine
• IUPAC Traditional name: benzyl(tridecan-2-yl)amine
• Synonyms: N-BENZYL-1-METHYLDODECYLAMINE

Database IDs

• PubChem SID: 162106254
• PubChem CID: 415928

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6089888
• LogD (pH = 7.4): 4.3020153
• Log P: 6.828618
• Molar Refractivity: 94.4064 cm^3
• Polarizability: 37.760574 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05210309

MP Biomedicals Rare Chemical collection