5-(2-aminoethoxy)-2,3-dihydro-1H-indene

• ChemBase ID: 306406
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c12c(ccc(c1)OCCN)CCC2
• Canonical SMILES: NCCOc1ccc2c(c1)CCC2
• InChI: InChI=1S/C11H15NO/c12-6-7-13-11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7,12H2
• InChIKey: IKJCPSISJAUVTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-aminoethoxy)-2,3-dihydro-1H-indene
• IUPAC Traditional name: 5-(2-aminoethoxy)-2,3-dihydro-1H-indene
• Synonyms: 2-(2,3-dihydro-1H-inden-5-yloxy)ethanamine

Database IDs

• CAS Number: 72955-84-1
• MDL Number: MFCD06246982

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 7.4): 0.17031665
• Log P: 2.0262764
• Molar Refractivity: 53.3522 cm^3
• Polarizability: 20.863947 Å^3
• Polar Surface Area: 35.25 Å^2
• LogD (pH = 5.5): -0.9353216