1,5-diphenylpentan-1-amine

• ChemBase ID: 239348
• Molecular Formular: C17H21N
• Molecular Mass: 239.35534
• Monoisotopic Mass: 239.16739968
• SMILES: c1(C(N)CCCCc2ccccc2)ccccc1
• Canonical SMILES: NC(c1ccccc1)CCCCc1ccccc1
• InChI: InChI=1S/C17H21N/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13,17H,7-8,11,14,18H2
• InChIKey: KIASLMCWDJBDHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-diphenylpentan-1-amine
• IUPAC Traditional name: 1,5-diphenylpentan-1-amine
• Synonyms: 1,5-diphenylpentan-1-amine

Database IDs

• MDL Number: MFCD16183992
• PubChem SID: 164295258
• PubChem CID: 21555317

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4971861
• LogD (pH = 7.4): 2.222655
• Log P: 4.5056214
• Molar Refractivity: 77.3722 cm^3
• Polarizability: 30.703371 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.408

Product Information

• Purity: 95%