N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 127354
• Molecular Formular: C12H14F3N
• Molecular Mass: 229.2414696
• Monoisotopic Mass: 229.10783411
• SMILES: FC(F)(F)c1ccc2CC(NCC)Cc2c1
• Canonical SMILES: CCNC1Cc2c(C1)ccc(c2)C(F)(F)F
• InChI: InChI=1S/C12H14F3N/c1-2-16-11-6-8-3-4-10(12(13,14)15)5-9(8)7-11/h3-5,11,16H,2,6-7H2,1H3
• InChIKey: PHTXVQQRWJXYPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine
• Synonyms: Ethyltrifluoromethylaminoindane

Database IDs

• PubChem SID: 162221675
• PubChem CID: 10331389
• Wikipedia Title: Ethyltrifluoromethylaminoindane

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.06796739
• LogD (pH = 7.4): 0.5788504
• Log P: 3.154568
• Molar Refractivity: 57.7631 cm^3
• Polarizability: 21.197155 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true