4-(2,3-dihydro-1H-indol-5-ylmethyl)aniline


Chemical Name: 4-(2,3-dihydro-1H-indol-5-ylmethyl)aniline
CAS Number: 1221725-87-6
Product Number: AG01A8B9(AG01A8B9)
Synonyms:
MDL No:
Molecular Formula: C15H16N2
Molecular Weight: 224.3009

Identification/Properties


Computed Properties
Molecular Weight:
224.307g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
224.131g/mol
Monoisotopic Mass:
224.131g/mol
Topological Polar Surface Area:
38A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
245
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



4-[(2,3-Dihydro-1H-indol-5-yl)methyl]aniline is a versatile compound widely used in chemical synthesis for its unique properties and applications. This compound serves as a valuable building block in organic chemistry, particularly in the synthesis of complex molecules and pharmaceutical intermediates. The indole moiety in this compound provides aromatic characteristics and can participate in various types of chemical reactions, including Mannich reactions, Friedel-Crafts reactions, and Heck coupling reactions. The primary amine group in the aniline portion allows for further functionalization and modification, making it a valuable starting material for the synthesis of diverse organic compounds. Additionally, the presence of the indole ring confers biological activity to molecules synthesized using this compound, making it of interest in drug discovery and development efforts. Overall, 4-[(2,3-Dihydro-1H-indol-5-yl)methyl]aniline plays a crucial role in organic synthesis, enabling the creation of new chemical entities with potential applications in various industries.