N-(1-phenylethyl)aniline

• ChemBase ID: 262073
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: N(C(c1ccccc1)C)c1ccccc1
• Canonical SMILES: CC(c1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C14H15N/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2-12,15H,1H3
• InChIKey: IUERBKSXAYWVGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-phenylethyl)aniline
• IUPAC Traditional name: N-(1-phenylethyl)aniline
• Synonyms: N-(1-phenylethyl)aniline

Database IDs

• MDL Number: MFCD00155346
• PubChem SID: 164317983
• PubChem CID: 418090

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5778205
• LogD (pH = 7.4): 3.5869544
• Log P: 3.5870721
• Molar Refractivity: 65.2832 cm^3
• Polarizability: 24.83264 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.398

Product Information

• Purity: 95%