4-(2,3-dihydro-1H-inden-5-yloxy)aniline

• ChemBase ID: 20164
• Molecular Formular: C15H15NO
• Molecular Mass: 225.2857
• Monoisotopic Mass: 225.11536411
• SMILES: c12cc(Oc3ccc(N)cc3)ccc1CCC2
• Canonical SMILES: Nc1ccc(cc1)Oc1ccc2c(c1)CCC2
• InChI: InChI=1S/C15H15NO/c16-13-5-8-14(9-6-13)17-15-7-4-11-2-1-3-12(11)10-15/h4-10H,1-3,16H2
• InChIKey: IIHYVFFHRWAUPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,3-dihydro-1H-inden-5-yloxy)aniline
• IUPAC Traditional name: 4-(2,3-dihydro-1H-inden-5-yloxy)aniline
• Synonyms: 4-(2,3-Dihydro-1H-inden-5-yloxy)phenylamine

Database IDs

• MDL Number: MFCD08687595
• PubChem SID: 160983471
• PubChem CID: 19626860

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6250827
• LogD (pH = 7.4): 3.6519392
• Log P: 3.6522925
• Molar Refractivity: 69.8804 cm^3
• Polarizability: 26.459055 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false