N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine

C159H168ClFN20O2 — CID 158298804

About N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine

N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine (PubChem CID 158298804) has the molecular formula C159H168ClFN20O2 and a molecular weight of 2445.68 g/mol. Its IUPAC name is N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine.

Molecular Properties

• Compound Name: N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine
• PubChem CID: 158298804
• Molecular Formula: C159H168ClFN20O2
• Molecular Weight: 2445.68 g/mol
• Exact Mass: 2443.33
• IUPAC Name: N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine
• SMILES: CCn1c(C#CCNc2ccc(C)cc2)cc2cc(CNCc3ccccc3)ccc21.CCn1c(C#CCNc2ccc(C)nc2)cc2cc(CNC3CCOCC3)ccc21.CCn1c(C#CCNc2ccc(Cl)cc2)cc2cc(CNCc3ccccc3)ccc21.CCn1c(C#CCNc2ccc(F)cc2)cc2cc(CNCc3ccccc3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNCc3ccccc3)ccc21.CCn1c(C#CCNc2ccnc(C)c2)cc2cc(CNC3CCOCC3)ccc21
• InChI: InChI=1S/C28H29N3.C27H26ClN3.C27H26FN3.C27H27N3.2C25H30N4O/c1-3-31-27(10-7-17-30-26-14-11-22(2)12-15-26)19-25-18-24(13-16-28(25)31)21-29-20-23-8-5-4-6-9-23;2*1-2-31-26(9-6-16-30-25-13-11-24(28)12-14-25)18-23-17-22(10-15-27(23)31)20-29-19-21-7-4-3-5-8-21;1-2-30-26(14-9-17-29-25-12-7-4-8-13-25)19-24-18-23(15-16-27(24)30)21-28-20-22-10-5-3-6-11-22;1-3-29-24(5-4-12-26-23-8-6-19(2)27-18-23)16-21-15-20(7-9-25(21)29)17-28-22-10-13-30-14-11-22;1-3-29-24(5-4-11-27-23-8-12-26-19(2)15-23)17-21-16-20(6-7-25(21)29)18-28-22-9-13-30-14-10-22/h4-6,8-9,11-16,18-19,29-30H,3,17,20-21H2,1-2H3;2*3-5,7-8,10-15,17-18,29-30H,2,16,19-20H2,1H3;3-8,10-13,15-16,18-19,28-29H,2,17,20-21H2,1H3;6-9,15-16,18,22,26,28H,3,10-14,17H2,1-2H3;6-8,12,15-17,22,28H,3,9-11,13-14,18H2,1-2H3,(H,26,27)
• InChIKey: GMFYTNIDSYPHAJ-UHFFFAOYSA-N
• XLogP: 30.95
• TPSA: 218.18 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 40
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2445.68
LogP ≤ 5	30.95
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine?

The IUPAC name of N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine (CID 158298804) is N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine.

What is the SMILES notation for N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine?

The canonical SMILES for N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine is CCn1c(C#CCNc2ccc(C)cc2)cc2cc(CNCc3ccccc3)ccc21.CCn1c(C#CCNc2ccc(C)nc2)cc2cc(CNC3CCOCC3)ccc21.CCn1c(C#CCNc2ccc(Cl)cc2)cc2cc(CNCc3ccccc3)ccc21.CCn1c(C#CCNc2ccc(F)cc2)cc2cc(CNCc3ccccc3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNCc3ccccc3)ccc21.CCn1c(C#CCNc2ccnc(C)c2)cc2cc(CNC3CCOCC3)ccc21.

What is the InChIKey of N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine?

The InChIKey is GMFYTNIDSYPHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3.C27H26ClN3.C27H26FN3.C27H27N3.2C25H30N4O/c1-3-31-27(10-7-17-30-26-14-11-22(2)12-15-26)19-25-18-24(13-16-28(25)31)21-29-20-23-8-5-4-6-9-23;2*1-2-31-26(9-6-16-30-25-13-11-24(28)12-14-25)18-23-17-22(10-15-27(23)31)20-29-19-21-7-4-3-5-8-21;1-2-30-26(14-9-17-29-25-12-7-4-8-13-25)19-24-18-23(15-16-27(24)30)21-28-20-22-10-5-3-6-11-22;1-3-29-24(5-4-12-26-23-8-6-19(2)27-18-23)16-21-15-20(7-9-25(21)29)17-28-22-10-13-30-14-11-22;1-3-29-24(5-4-11-27-23-8-12-26-19(2)15-23)17-21-16-20(6-7-25(21)29)18-28-22-9-13-30-14-10-22/h4-6,8-9,11-16,18-19,29-30H,3,17,20-21H2,1-2H3;2*3-5,7-8,10-15,17-18,29-30H,2,16,19-20H2,1H3;3-8,10-13,15-16,18-19,28-29H,2,17,20-21H2,1H3;6-9,15-16,18,22,26,28H,3,10-14,17H2,1-2H3;6-8,12,15-17,22,28H,3,9-11,13-14,18H2,1-2H3,(H,26,27).

What are the key properties of N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine?

N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine has a molecular weight of 2445.68 g/mol, XLogP of 30.95, 40 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine is sourced from PubChem (CID 158298804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).