2-(2,3-dihydro-1H-inden-2-yl)ethan-1-amine

• ChemBase ID: 243431
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: c12c(CC(C1)CCN)cccc2
• Canonical SMILES: NCCC1Cc2c(C1)cccc2
• InChI: InChI=1S/C11H15N/c12-6-5-9-7-10-3-1-2-4-11(10)8-9/h1-4,9H,5-8,12H2
• InChIKey: NZTAAFFEAQTQAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-2-yl)ethanamine
• Synonyms: 2-(2,3-dihydro-1H-inden-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD13192666
• PubChem SID: 164299341
• PubChem CID: 18921531

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.85484326
• LogD (pH = 7.4): -0.42967647
• Log P: 2.1689587
• Molar Refractivity: 51.675 cm^3
• Polarizability: 20.230078 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.316

Product Information

• Purity: 95%