4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine

C124H151ClFN17 — CID 158524300

About 4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine

4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine (PubChem CID 158524300) has the molecular formula C124H151ClFN17 and a molecular weight of 1934.14 g/mol. Its IUPAC name is 4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine.

Molecular Properties

• Compound Name: 4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine
• PubChem CID: 158524300
• Molecular Formula: C124H151ClFN17
• Molecular Weight: 1934.14 g/mol
• Exact Mass: 1932.20
• IUPAC Name: 4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine
• SMILES: CCN(CC)Cc1cccc2c1cc(C#CCNc1ccc(C)cc1)n2CC.CCN(CC)Cc1cccc2c1cc(C#CCNc1ccc(Cl)cc1)n2CC.CCN(CC)Cc1cccc2c1cc(C#CCNc1ccc(F)cc1)n2CC.CCN(CC)Cc1cccc2c1cc(C#CCNc1ccccc1)n2CC.CCn1c(C#CCNc2ccnc(C)c2)cc2c(CN3CCC(N(C)C)CC3)cccc21
• InChI: InChI=1S/C27H35N5.C25H31N3.C24H28ClN3.C24H28FN3.C24H29N3/c1-5-32-25(9-7-14-29-23-11-15-28-21(2)18-23)19-26-22(8-6-10-27(26)32)20-31-16-12-24(13-17-31)30(3)4;1-5-27(6-2)19-21-10-8-12-25-24(21)18-23(28(25)7-3)11-9-17-26-22-15-13-20(4)14-16-22;2*1-4-27(5-2)18-19-9-7-11-24-23(19)17-22(28(24)6-3)10-8-16-26-21-14-12-20(25)13-15-21;1-4-26(5-2)19-20-12-10-16-24-23(20)18-22(27(24)6-3)15-11-17-25-21-13-8-7-9-14-21/h6,8,10-11,15,18-19,24H,5,12-14,16-17,20H2,1-4H3,(H,28,29);8,10,12-16,18,26H,5-7,17,19H2,1-4H3;2*7,9,11-15,17,26H,4-6,16,18H2,1-3H3;7-10,12-14,16,18,25H,4-6,17,19H2,1-3H3
• InChIKey: HMPFGUSECDTGHD-UHFFFAOYSA-N
• XLogP: 25.32
• TPSA: 117.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 34
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1934.14
LogP ≤ 5	25.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?

The IUPAC name of 4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine (CID 158524300) is 4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine.

What is the SMILES notation for 4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?

The canonical SMILES for 4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine is CCN(CC)Cc1cccc2c1cc(C#CCNc1ccc(C)cc1)n2CC.CCN(CC)Cc1cccc2c1cc(C#CCNc1ccc(Cl)cc1)n2CC.CCN(CC)Cc1cccc2c1cc(C#CCNc1ccc(F)cc1)n2CC.CCN(CC)Cc1cccc2c1cc(C#CCNc1ccccc1)n2CC.CCn1c(C#CCNc2ccnc(C)c2)cc2c(CN3CCC(N(C)C)CC3)cccc21.

What is the InChIKey of 4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?

The InChIKey is HMPFGUSECDTGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5.C25H31N3.C24H28ClN3.C24H28FN3.C24H29N3/c1-5-32-25(9-7-14-29-23-11-15-28-21(2)18-23)19-26-22(8-6-10-27(26)32)20-31-16-12-24(13-17-31)30(3)4;1-5-27(6-2)19-21-10-8-12-25-24(21)18-23(28(25)7-3)11-9-17-26-22-15-13-20(4)14-16-22;2*1-4-27(5-2)18-19-9-7-11-24-23(19)17-22(28(24)6-3)10-8-16-26-21-14-12-20(25)13-15-21;1-4-26(5-2)19-20-12-10-16-24-23(20)18-22(27(24)6-3)15-11-17-25-21-13-8-7-9-14-21/h6,8,10-11,15,18-19,24H,5,12-14,16-17,20H2,1-4H3,(H,28,29);8,10,12-16,18,26H,5-7,17,19H2,1-4H3;2*7,9,11-15,17,26H,4-6,16,18H2,1-3H3;7-10,12-14,16,18,25H,4-6,17,19H2,1-3H3.

What are the key properties of 4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?

4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine has a molecular weight of 1934.14 g/mol, XLogP of 25.32, 34 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[4-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine is sourced from PubChem (CID 158524300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).