4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine

C121H146ClFN16 — CID 158334007

IUPAC4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine
SMILESCCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccc(C)cc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccc(Cl)cc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccc(F)cc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccccc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccnc(C)c1)n2CC
InChIInChI=1S/C25H31N3.C24H28ClN3.C24H28FN3.C24H30N4.C24H29N3/c1-5-27(6-2)19-21-12-15-25-22(17-21)18-24(28(25)7-3)9-8-16-26-23-13-10-20(4)11-14-23;2*1-4-27(5-2)18-19-9-14-24-20(16-19)17-23(28(24)6-3)8-7-15-26-22-12-10-21(25)11-13-22;1-5-27(6-2)18-20-10-11-24-21(16-20)17-23(28(24)7-3)9-8-13-26-22-12-14-25-19(4)15-22;1-4-26(5-2)19-20-14-15-24-21(17-20)18-23(27(24)6-3)13-10-16-25-22-11-8-7-9-12-22/h10-15,17-18,26H,5-7,16,19H2,1-4H3;2*9-14,16-17,26H,4-6,15,18H2,1-3H3;10-12,14-17H,5-7,13,18H2,1-4H3,(H,25,26);7-9,11-12,14-15,17-18,25H,4-6,16,19H2,1-3H3
InChIKeyGQIZCCKCYGTVSQ-UHFFFAOYSA-N
MW1879.06 g/mol
LogP25.64
Rot. Bonds35

About 4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine

4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine (PubChem CID 158334007) has the molecular formula C121H146ClFN16 and a molecular weight of 1879.06 g/mol. Its IUPAC name is 4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine.

Molecular Properties

Compound Name4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine
PubChem CID158334007
Molecular FormulaC121H146ClFN16
Molecular Weight1879.06 g/mol
Exact Mass1877.16
IUPAC Name4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine
SMILESCCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccc(C)cc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccc(Cl)cc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccc(F)cc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccccc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccnc(C)c1)n2CC
InChIInChI=1S/C25H31N3.C24H28ClN3.C24H28FN3.C24H30N4.C24H29N3/c1-5-27(6-2)19-21-12-15-25-22(17-21)18-24(28(25)7-3)9-8-16-26-23-13-10-20(4)11-14-23;2*1-4-27(5-2)18-19-9-14-24-20(16-19)17-23(28(24)6-3)8-7-15-26-22-12-10-21(25)11-13-22;1-5-27(6-2)18-20-10-11-24-21(16-20)17-23(28(24)7-3)9-8-13-26-22-12-14-25-19(4)15-22;1-4-26(5-2)19-20-14-15-24-21(17-20)18-23(27(24)6-3)13-10-16-25-22-11-8-7-9-12-22/h10-15,17-18,26H,5-7,16,19H2,1-4H3;2*9-14,16-17,26H,4-6,15,18H2,1-3H3;10-12,14-17H,5-7,13,18H2,1-4H3,(H,25,26);7-9,11-12,14-15,17-18,25H,4-6,16,19H2,1-3H3
InChIKeyGQIZCCKCYGTVSQ-UHFFFAOYSA-N
XLogP25.64
TPSA113.89 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds35
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001879.06
LogP ≤ 525.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine with MolForge

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Related Compounds

3-(5-chloro-1H-indol-3-yl)-2-(5-fluoro-1H-indol-3-yl)-4-(1H-indol-4-yl)-1-methylindole
CID 141368888
3,6-Di(carbazol-9-yl)-9-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyridin-3-yl]-4-(trifluoromethyl)phenyl]carbazole
CID 156282691
2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole
CID 158236932
N-(4-chlorophenyl)-1-(1H-indol-3-yl)methanimine;bis((2,4-dimethylphenyl)-(1H-indol-3-yl)diazene);(Z)-3-(4-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enenitrile;1H-indol-3-yl-(4-methylphenyl)diazene;1-(1H-indol-3-yl)-N-(4-methylphenyl)methanimine;1-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]methanimine;(Z)-2-(1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile;(2-methyl-1H-indol-3-yl)-[2-(trifluoromethyl)phenyl]diazene;3-[(E)-2-phenylethenyl]-1H-indole
CID 160609026
2-(4-Chlorophenyl)-1-ethyl-5-methylindole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;1-ethyl-2-(4-fluorophenyl)-5-methylindole;1-ethyl-3-(4-fluorophenyl)-5-methylindole;1-ethyl-5-methyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-1,5-dimethylindole
CID 161507354
N-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine
CID 123849389
5-[4-[4-[7-(1,2-Dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole
CID 129209540
4-[2-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl-ethylamino]ethyl]-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline
CID 130361537
8-(3-Carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane
CID 143802439
4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane
CID 143960040
N-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole
CID 144941007
4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine
CID 157058275

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?
The IUPAC name of 4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine (CID 158334007) is 4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine.
What is the SMILES notation for 4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?
The canonical SMILES for 4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine is CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccc(C)cc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccc(Cl)cc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccc(F)cc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccccc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccnc(C)c1)n2CC.
What is the InChIKey of 4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?
The InChIKey is GQIZCCKCYGTVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3.C24H28ClN3.C24H28FN3.C24H30N4.C24H29N3/c1-5-27(6-2)19-21-12-15-25-22(17-21)18-24(28(25)7-3)9-8-16-26-23-13-10-20(4)11-14-23;2*1-4-27(5-2)18-19-9-14-24-20(16-19)17-23(28(24)6-3)8-7-15-26-22-12-10-21(25)11-13-22;1-5-27(6-2)18-20-10-11-24-21(16-20)17-23(28(24)7-3)9-8-13-26-22-12-14-25-19(4)15-22;1-4-26(5-2)19-20-14-15-24-21(17-20)18-23(27(24)6-3)13-10-16-25-22-11-8-7-9-12-22/h10-15,17-18,26H,5-7,16,19H2,1-4H3;2*9-14,16-17,26H,4-6,15,18H2,1-3H3;10-12,14-17H,5-7,13,18H2,1-4H3,(H,25,26);7-9,11-12,14-15,17-18,25H,4-6,16,19H2,1-3H3.
What are the key properties of 4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?
4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine has a molecular weight of 1879.06 g/mol, XLogP of 25.64, 35 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine is sourced from PubChem (CID 158334007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).