2-(3-phenylpropoxy)aniline

• ChemBase ID: 307778
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: c1(c(OCCCc2ccccc2)cccc1)N
• Canonical SMILES: Nc1ccccc1OCCCc1ccccc1
• InChI: InChI=1S/C15H17NO/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12,16H2
• InChIKey: GDYFGACDOWQOSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylpropoxy)aniline
• IUPAC Traditional name: 2-(3-phenylpropoxy)aniline
• Synonyms: 2-(3-phenylpropoxy)aniline

Database IDs

• CAS Number: 403517-03-3
• MDL Number: MFCD06801199

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4087193
• LogD (pH = 7.4): 3.4438841
• Log P: 3.4443517
• Molar Refractivity: 71.1902 cm^3
• Polarizability: 27.225777 Å^3
• Polar Surface Area: 35.25 Å^2