N-propyl-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 255541
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: c12c(CCC1NCCC)cccc2
• Canonical SMILES: CCCNC1CCc2c1cccc2
• InChI: InChI=1S/C12H17N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h3-6,12-13H,2,7-9H2,1H3
• InChIKey: XSAZJUHKYQQWFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propyl-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: indanylaminopropane
• Synonyms: N-propyl-2,3-dihydro-1H-inden-1-amine

Database IDs

• MDL Number: MFCD09931713
• PubChem SID: 164311451
• PubChem CID: 19710228

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.26603544
• LogD (pH = 7.4): 0.40291372
• Log P: 2.9551492
• Molar Refractivity: 56.1594 cm^3
• Polarizability: 22.154886 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.982

Product Information

• Purity: 95%