3-(3-phenylpropyl)aniline

• ChemBase ID: 268523
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: c1c(N)cccc1CCCc1ccccc1
• Canonical SMILES: Nc1cccc(c1)CCCc1ccccc1
• InChI: InChI=1S/C15H17N/c16-15-11-5-10-14(12-15)9-4-8-13-6-2-1-3-7-13/h1-3,5-7,10-12H,4,8-9,16H2
• InChIKey: RZPAYIGFFATDFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-phenylpropyl)aniline
• IUPAC Traditional name: 3-(3-phenylpropyl)aniline
• Synonyms: 3-(3-phenylpropyl)aniline

Database IDs

• MDL Number: MFCD16622137
• PubChem SID: 164324433
• PubChem CID: 427307

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.0623236
• LogD (pH = 7.4): 4.1243987
• Log P: 4.1252513
• Molar Refractivity: 69.6976 cm^3
• Polarizability: 26.519924 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.89

Product Information

• Purity: 95%