1,5-diphenylpentan-3-amine

• ChemBase ID: 238573
• Molecular Formular: C17H21N
• Molecular Mass: 239.35534
• Monoisotopic Mass: 239.16739968
• SMILES: NC(CCc1ccccc1)CCc1ccccc1
• Canonical SMILES: NC(CCc1ccccc1)CCc1ccccc1
• InChI: InChI=1S/C17H21N/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17H,11-14,18H2
• InChIKey: PBKWJPMGHCRYGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-diphenylpentan-3-amine
• IUPAC Traditional name: 1,5-diphenylpentan-3-amine
• Synonyms: 1,5-diphenylpentan-3-amine

Database IDs

• MDL Number: MFCD13478272
• PubChem SID: 164294483
• PubChem CID: 15388874

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3242068
• LogD (pH = 7.4): 1.6972272
• Log P: 4.3497143
• Molar Refractivity: 77.5262 cm^3
• Polarizability: 30.625088 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.068

Product Information

• Purity: 95%