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Adamantan-1-yl(phenyl)methanamine

  • CAS No. 139026-44-1

  • Cat. No. CS-0101239
  • Purity≥98%
  • MDL No.MFCD02632254

*For research and further manufacturing use only, not for direct human use.

Adamantan-1-yl(phenyl)methanamine|CS-0101239

Structure of 139026-44-1

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General Information

  • CAS No. 139026-44-1
  • Cat. No. CS-0101239
  • Purity ≥98%
  • MDL No. MFCD02632254
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₃N
  • Molecular Weight 241.37
  • Synonym(s) 1-ADAMANTYL(PHENYL)METHANAMINE
  • SMILES NC(C12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C4=CC=CC=C4

Description

Adamantan-1-yl(phenyl)methanamine features a rigid adamantane scaffold linked to a phenylmethylamine moiety, combining steric bulk with aromatic functionality. This structure enables enhanced metabolic stability and favorable lipophilicity, making it valuable for medicinal chemistry applications involving target engagement in hydrophobic binding pockets.

Application

Adamantan-1-yl(phenyl)methanamine serves as a sterically hindered, bench-stable amine building block for medicinal chemistry and catalysis. Its rigid adamantane moiety imparts metabolic stability and enhances lipophilicity, while the benzylic amine functionality enables straightforward derivatization via alkylation, acylation, or reductive amination. This compound facilitates the synthesis of targeted heterocyclic scaffolds and functionalized analogs in drug discovery workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   3.9028
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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