N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid

C112H116F3N13O12 — CID 167548741

About N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 167548741) has the molecular formula C112H116F3N13O12 and a molecular weight of 1893.23 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 167548741
• Molecular Formula: C112H116F3N13O12
• Molecular Weight: 1893.23 g/mol
• Exact Mass: 1891.88
• IUPAC Name: N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid
• SMILES: CC(=O)NCCC1CNc2ccc(O)cc21.CC(=O)NCCc1c[nH]c2ccc(O)cc12.CC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12.N#CCc1c[nH]c2ccc(OCc3ccccc3)cc12.NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.O=C(O)C(F)(F)F.c1ccc(COc2ccc3[nH]ccc3c2)cc1
• InChI: InChI=1S/C19H20N2O2.C18H20N2O.C17H18N2O.C17H14N2O.C15H13NO.C12H16N2O2.C12H14N2O2.C2HF3O2/c1-14(22)20-10-9-16-12-21-19-8-7-17(11-18(16)19)23-13-15-5-3-2-4-6-15;1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14;2*18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13;1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15;2*1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12;3-2(4,5)1(6)7/h2-8,11-12,21H,9-10,13H2,1H3,(H,20,22);3-11,19H,12-13H2,1-2H3;1-7,10-11,19H,8-9,12,18H2;1-7,10-11,19H,8,12H2;1-10,16H,11H2;2-3,6,9,14,16H,4-5,7H2,1H3,(H,13,15);2-3,6-7,14,16H,4-5H2,1H3,(H,13,15);(H,6,7)
• InChIKey: XLUFHLJKZCDVNZ-UHFFFAOYSA-N
• XLogP: 21.65
• TPSA: 371.03 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 15
• Rotatable Bonds: 29
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1893.23
LogP ≤ 5	21.65
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid (CID 167548741) is N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid is CC(=O)NCCC1CNc2ccc(O)cc21.CC(=O)NCCc1c[nH]c2ccc(O)cc12.CC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12.N#CCc1c[nH]c2ccc(OCc3ccccc3)cc12.NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.O=C(O)C(F)(F)F.c1ccc(COc2ccc3[nH]ccc3c2)cc1.

What is the InChIKey of N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is XLUFHLJKZCDVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.C18H20N2O.C17H18N2O.C17H14N2O.C15H13NO.C12H16N2O2.C12H14N2O2.C2HF3O2/c1-14(22)20-10-9-16-12-21-19-8-7-17(11-18(16)19)23-13-15-5-3-2-4-6-15;1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14;2*18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13;1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15;2*1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12;3-2(4,5)1(6)7/h2-8,11-12,21H,9-10,13H2,1H3,(H,20,22);3-11,19H,12-13H2,1-2H3;1-7,10-11,19H,8-9,12,18H2;1-7,10-11,19H,8,12H2;1-10,16H,11H2;2-3,6,9,14,16H,4-5,7H2,1H3,(H,13,15);2-3,6-7,14,16H,4-5H2,1H3,(H,13,15);(H,6,7).

What are the key properties of N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid?

N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 1893.23 g/mol, XLogP of 21.65, 29 rotatable bonds, 14 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;5-phenylmethoxy-1H-indole;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167548741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).