benzyl(octan-2-yl)amine

• ChemBase ID: 245789
• Molecular Formular: C15H25N
• Molecular Mass: 219.3657
• Monoisotopic Mass: 219.19869981
• SMILES: N(Cc1ccccc1)C(CCCCCC)C
• Canonical SMILES: CCCCCCC(NCc1ccccc1)C
• InChI: InChI=1S/C15H25N/c1-3-4-5-7-10-14(2)16-13-15-11-8-6-9-12-15/h6,8-9,11-12,14,16H,3-5,7,10,13H2,1-2H3
• InChIKey: ORZBDKMLKMMQES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(octan-2-yl)amine
• IUPAC Traditional name: benzyl(octan-2-yl)amine
• Synonyms: benzyl(octan-2-yl)amine

Database IDs

• MDL Number: MFCD11175156
• PubChem SID: 164301699
• PubChem CID: 9815853

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3861454
• LogD (pH = 7.4): 2.079172
• Log P: 4.605775
• Molar Refractivity: 71.4014 cm^3
• Polarizability: 28.525642 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.993

Product Information

• Purity: 95%