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

• ChemBase ID: 798995
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C1(Cc2ccc(cc2C1)C(C)(C)C)N
• Canonical SMILES: NC1Cc2c(C1)cc(cc2)C(C)(C)C
• InChI: InChI=1S/C13H19N/c1-13(2,3)11-5-4-9-7-12(14)8-10(9)6-11/h4-6,12H,7-8,14H2,1-3H3
• InChIKey: SYYYHAKQBPMYDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 162752-19-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.014297969
• LogD (pH = 7.4): 0.57785994
• Log P: 3.0323873
• Molar Refractivity: 60.9321 cm^3
• Polarizability: 23.838007 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%