Molecule ID: 161359

IUPAC Name: [3-[2-(methylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate

Description: The molecule is a tryptamine alkaloid that is N-methyltryptamine carrying an additional phosphoryloxy substituent at position 4. It has a role as a hallucinogen and a fungal metabolite. It is an organic phosphate, a tryptamine alkaloid and a secondary amino compound. It derives from a tryptamine. It is a conjugate acid of a baeocystin(1-).

SMILES: CNCCc1c[nH]c2cccc(OP(=O)(O)O)c12

SELFIES: [C][N][C][C][C][=C][NH1][C][=C][C][=C][C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][=C][Ring1][=C][Ring1][O]

InChI: InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16)

Molecular Properties:
- Polar Surface Area: 94.6 Ų
- LogP: -2.1