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

C224H235F3N26O22 — CID 167564498

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

bis(N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine);tris(N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide);N-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)acetamide;bis(5-phenylmethoxy-1H-indole);N-(5-phenylmethoxy-1H-indol-3-yl)acetamide;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;bis(2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine);N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;(5-phenylmethoxy-1H-indol-3-yl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 167564498) has the molecular formula C224H235F3N26O22 and a molecular weight of 3700.50 g/mol. Its IUPAC name is bis(N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine);tris(N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide);N-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)acetamide;bis(5-phenylmethoxy-1H-indole);N-(5-phenylmethoxy-1H-indol-3-yl)acetamide;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;bis(2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine);N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;(5-phenylmethoxy-1H-indol-3-yl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: bis(N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine);tris(N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide);N-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)acetamide;bis(5-phenylmethoxy-1H-indole);N-(5-phenylmethoxy-1H-indol-3-yl)acetamide;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;bis(2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine);N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;(5-phenylmethoxy-1H-indol-3-yl)methanamine;2,2,2-trifluoroacetic acid
• PubChem CID: 167564498
• Molecular Formula: C224H235F3N26O22
• Molecular Weight: 3700.50 g/mol
• Exact Mass: 3697.80
• IUPAC Name: bis(N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine);tris(N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide);N-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)acetamide;bis(5-phenylmethoxy-1H-indole);N-(5-phenylmethoxy-1H-indol-3-yl)acetamide;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;bis(2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine);N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;(5-phenylmethoxy-1H-indol-3-yl)methanamine;2,2,2-trifluoroacetic acid
• SMILES: CC(=O)NC1CNc2ccc(OCc3ccccc3)cc21.CC(=O)NCCC1CNc2ccc(O)cc21.CC(=O)NCCC1CNc2ccc(O)cc21.CC(=O)NCCC1CNc2ccc(O)cc21.CC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.CC(=O)Nc1c[nH]c2ccc(OCc3ccccc3)cc12.CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12.CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12.N#CCc1c[nH]c2ccc(OCc3ccccc3)cc12.NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.NCc1c[nH]c2ccc(OCc3ccccc3)cc12.O=C(O)C(F)(F)F.c1ccc(COc2ccc3[nH]ccc3c2)cc1.c1ccc(COc2ccc3[nH]ccc3c2)cc1
• InChI: InChI=1S/C19H20N2O2.2C18H20N2O.C17H18N2O2.C17H16N2O2.2C17H18N2O.C17H14N2O.C16H16N2O.2C15H13NO.3C12H16N2O2.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;2*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*1-12(20)19-17-10-18-16-8-7-14(9-15(16)17)21-11-13-5-3-2-4-6-13;3*18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13;17-9-13-10-18-16-7-6-14(8-15(13)16)19-11-12-4-2-1-3-5-12;2*1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15;3*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);2*3-11,19H,12-13H2,1-2H3;2-9,17-18H,10-11H2,1H3,(H,19,20);2-10,18H,11H2,1H3,(H,19,20);2*1-7,10-11,19H,8-9,12,18H2;1-7,10-11,19H,8,12H2;1-8,10,18H,9,11,17H2;2*1-10,16H,11H2;3*2-3,6,9,14,16H,4-5,7H2,1H3,(H,13,15);(H,6,7)
• InChIKey: PYSBVHJKZBOLIE-UHFFFAOYSA-N
• XLogP: 43.54
• TPSA: 688.47 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 31
• Rotatable Bonds: 57
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3700.50
LogP ≤ 5	43.54
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of bis(N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine);tris(N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide);N-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)acetamide;bis(5-phenylmethoxy-1H-indole);N-(5-phenylmethoxy-1H-indol-3-yl)acetamide;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;bis(2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine);N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;(5-phenylmethoxy-1H-indol-3-yl)methanamine;2,2,2-trifluoroacetic acid (CID 167564498) is bis(N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine);tris(N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide);N-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)acetamide;bis(5-phenylmethoxy-1H-indole);N-(5-phenylmethoxy-1H-indol-3-yl)acetamide;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;bis(2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine);N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;(5-phenylmethoxy-1H-indol-3-yl)methanamine;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for bis(N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine);tris(N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide);N-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)acetamide;bis(5-phenylmethoxy-1H-indole);N-(5-phenylmethoxy-1H-indol-3-yl)acetamide;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;bis(2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine);N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;(5-phenylmethoxy-1H-indol-3-yl)methanamine;2,2,2-trifluoroacetic acid is CC(=O)NC1CNc2ccc(OCc3ccccc3)cc21.CC(=O)NCCC1CNc2ccc(O)cc21.CC(=O)NCCC1CNc2ccc(O)cc21.CC(=O)NCCC1CNc2ccc(O)cc21.CC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.CC(=O)Nc1c[nH]c2ccc(OCc3ccccc3)cc12.CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12.CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12.N#CCc1c[nH]c2ccc(OCc3ccccc3)cc12.NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.NCc1c[nH]c2ccc(OCc3ccccc3)cc12.O=C(O)C(F)(F)F.c1ccc(COc2ccc3[nH]ccc3c2)cc1.c1ccc(COc2ccc3[nH]ccc3c2)cc1.

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

The InChIKey is PYSBVHJKZBOLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.2C18H20N2O.C17H18N2O2.C17H16N2O2.2C17H18N2O.C17H14N2O.C16H16N2O.2C15H13NO.3C12H16N2O2.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;2*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*1-12(20)19-17-10-18-16-8-7-14(9-15(16)17)21-11-13-5-3-2-4-6-13;3*18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13;17-9-13-10-18-16-7-6-14(8-15(13)16)19-11-12-4-2-1-3-5-12;2*1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15;3*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);2*3-11,19H,12-13H2,1-2H3;2-9,17-18H,10-11H2,1H3,(H,19,20);2-10,18H,11H2,1H3,(H,19,20);2*1-7,10-11,19H,8-9,12,18H2;1-7,10-11,19H,8,12H2;1-8,10,18H,9,11,17H2;2*1-10,16H,11H2;3*2-3,6,9,14,16H,4-5,7H2,1H3,(H,13,15);(H,6,7).

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

bis(N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine);tris(N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide);N-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)acetamide;bis(5-phenylmethoxy-1H-indole);N-(5-phenylmethoxy-1H-indol-3-yl)acetamide;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;bis(2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine);N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;(5-phenylmethoxy-1H-indol-3-yl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 3700.50 g/mol, XLogP of 43.54, 57 rotatable bonds, 27 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine);tris(N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide);N-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)acetamide;bis(5-phenylmethoxy-1H-indole);N-(5-phenylmethoxy-1H-indol-3-yl)acetamide;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;bis(2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine);N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;(5-phenylmethoxy-1H-indol-3-yl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167564498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).