5-tert-butyl-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 798996
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C1C(c2ccc(cc2C1)C(C)(C)C)N
• Canonical SMILES: NC1CCc2c1ccc(c2)C(C)(C)C
• InChI: InChI=1S/C13H19N/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14/h5-6,8,12H,4,7,14H2,1-3H3
• InChIKey: JYRVCRJPCWMDQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-tert-butyl-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 5-tert-butyl-2,3-dihydro-1H-inden-1-amine
• Synonyms: 5-tert-butyl-2,3-dihydro-1H-inden-1-amine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.17939475
• LogD (pH = 7.4): 0.8983925
• Log P: 3.1882946
• Molar Refractivity: 60.7781 cm^3
• Polarizability: 23.917587 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%