3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine

C145H179ClF9N15O5 — CID 161323476

IUPAC3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine
SMILESCCc1cc(C)ccc1-c1cn(CCCN)c2ccc(CC3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(C)(C)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCOCC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCc4cc(C)ccc4C3)cc12.CCc1cc(OC)ccc1-c1cn(CCCN)c2ccc(CN3CCC(CC)CC3)cc12
InChIInChI=1S/C33H40ClN3.C31H34F3N3O.C28H36F3N3O.C28H39N3O.C25H30F3N3O2/c1-3-27-19-24(2)9-11-29(27)31-23-37(16-6-15-35)33-12-10-26(21-30(31)33)20-25-13-17-36(18-14-25)22-28-7-4-5-8-32(28)34;1-3-23-17-26(38-31(32,33)34)8-9-27(23)29-20-37(13-4-12-35)30-10-6-22(16-28(29)30)18-36-14-11-24-15-21(2)5-7-25(24)19-36;1-4-21-17-22(35-28(29,30)31)7-8-23(21)25-19-34(13-5-12-32)26-9-6-20(16-24(25)26)18-33-14-10-27(2,3)11-15-33;1-4-21-11-15-30(16-12-21)19-22-7-10-28-26(17-22)27(20-31(28)14-6-13-29)25-9-8-24(32-3)18-23(25)5-2;1-2-19-15-20(33-25(26,27)28)5-6-21(19)23-17-31(9-3-8-29)24-7-4-18(14-22(23)24)16-30-10-12-32-13-11-30/h4-5,7-12,19,21,23,25H,3,6,13-18,20,22,35H2,1-2H3;5-10,15-17,20H,3-4,11-14,18-19,35H2,1-2H3;6-9,16-17,19H,4-5,10-15,18,32H2,1-3H3;7-10,17-18,20-21H,4-6,11-16,19,29H2,1-3H3;4-7,14-15,17H,2-3,8-13,16,29H2,1H3
InChIKeyVKLNMGQMMWYRDV-UHFFFAOYSA-N
MW2418.56 g/mol
LogP32.16
Rot. Bonds42

About 3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine

3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine (PubChem CID 161323476) has the molecular formula C145H179ClF9N15O5 and a molecular weight of 2418.56 g/mol. Its IUPAC name is 3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine
PubChem CID161323476
Molecular FormulaC145H179ClF9N15O5
Molecular Weight2418.56 g/mol
Exact Mass2416.38
IUPAC Name3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine
SMILESCCc1cc(C)ccc1-c1cn(CCCN)c2ccc(CC3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(C)(C)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCOCC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCc4cc(C)ccc4C3)cc12.CCc1cc(OC)ccc1-c1cn(CCCN)c2ccc(CN3CCC(CC)CC3)cc12
InChIInChI=1S/C33H40ClN3.C31H34F3N3O.C28H36F3N3O.C28H39N3O.C25H30F3N3O2/c1-3-27-19-24(2)9-11-29(27)31-23-37(16-6-15-35)33-12-10-26(21-30(31)33)20-25-13-17-36(18-14-25)22-28-7-4-5-8-32(28)34;1-3-23-17-26(38-31(32,33)34)8-9-27(23)29-20-37(13-4-12-35)30-10-6-22(16-28(29)30)18-36-14-11-24-15-21(2)5-7-25(24)19-36;1-4-21-17-22(35-28(29,30)31)7-8-23(21)25-19-34(13-5-12-32)26-9-6-20(16-24(25)26)18-33-14-10-27(2,3)11-15-33;1-4-21-11-15-30(16-12-21)19-22-7-10-28-26(17-22)27(20-31(28)14-6-13-29)25-9-8-24(32-3)18-23(25)5-2;1-2-19-15-20(33-25(26,27)28)5-6-21(19)23-17-31(9-3-8-29)24-7-4-18(14-22(23)24)16-30-10-12-32-13-11-30/h4-5,7-12,19,21,23,25H,3,6,13-18,20,22,35H2,1-2H3;5-10,15-17,20H,3-4,11-14,18-19,35H2,1-2H3;6-9,16-17,19H,4-5,10-15,18,32H2,1-3H3;7-10,17-18,20-21H,4-6,11-16,19,29H2,1-3H3;4-7,14-15,17H,2-3,8-13,16,29H2,1H3
InChIKeyVKLNMGQMMWYRDV-UHFFFAOYSA-N
XLogP32.16
TPSA217.10 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds42
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002418.56
LogP ≤ 532.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine with MolForge

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Related Compounds

3-[3-[2-(Aminomethyl)-4-[[3-[3-[2-(aminomethyl)-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propylamino]methyl]phenyl]-5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine
CID 129200950
3-[5-[[4-[[4-[3-[2-[4-[[1-(3-Aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129201400
N-[3-[5-[[5-[[2,6-bis(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[4-chloro-3-[[5-[[1-[3-(piperazine-2-carbonylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]piperazine-2-carboxamide
CID 129203828
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(2-chlorophenyl)piperidin-4-amine;1-butyl-5-[[4-(3-chlorophenoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[(4-ethylpiperidin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-4-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 157052330
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;1-butyl-5-[4-[(2-chlorophenyl)methyl]piperidin-1-yl]oxy-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 157144673
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;1-butyl-5-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 157202683
1-Butyl-5-[[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;[4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 157334359
N-[3,3-bis(4-fluorophenyl)propyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;4-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;4-(pyridin-3-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 157364598
1-(1-Aminocyclohexyl)-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-phenylindol-1-yl]pentan-1-one;5-[5-[[5-[(2-methoxy-6-methylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[[2-methyl-6-(trifluoromethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;1-piperidin-2-yl-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[5-[[2-(trifluoromethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]indol-1-yl]pentan-1-one
CID 157386399
1-butyl-5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(2-chlorophenyl)piperidin-4-amine;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(4-chlorophenyl)piperidin-4-amine
CID 157406006
1-Butyl-4-[[1-[2-(4-chlorophenoxy)ethyl]-1,3-diazinan-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-4-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 157407041
[2-[5-[[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 157634151

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine (CID 161323476) is 3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine is CCc1cc(C)ccc1-c1cn(CCCN)c2ccc(CC3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(C)(C)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCOCC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCc4cc(C)ccc4C3)cc12.CCc1cc(OC)ccc1-c1cn(CCCN)c2ccc(CN3CCC(CC)CC3)cc12.
What is the InChIKey of 3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine?
The InChIKey is VKLNMGQMMWYRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40ClN3.C31H34F3N3O.C28H36F3N3O.C28H39N3O.C25H30F3N3O2/c1-3-27-19-24(2)9-11-29(27)31-23-37(16-6-15-35)33-12-10-26(21-30(31)33)20-25-13-17-36(18-14-25)22-28-7-4-5-8-32(28)34;1-3-23-17-26(38-31(32,33)34)8-9-27(23)29-20-37(13-4-12-35)30-10-6-22(16-28(29)30)18-36-14-11-24-15-21(2)5-7-25(24)19-36;1-4-21-17-22(35-28(29,30)31)7-8-23(21)25-19-34(13-5-12-32)26-9-6-20(16-24(25)26)18-33-14-10-27(2,3)11-15-33;1-4-21-11-15-30(16-12-21)19-22-7-10-28-26(17-22)27(20-31(28)14-6-13-29)25-9-8-24(32-3)18-23(25)5-2;1-2-19-15-20(33-25(26,27)28)5-6-21(19)23-17-31(9-3-8-29)24-7-4-18(14-22(23)24)16-30-10-12-32-13-11-30/h4-5,7-12,19,21,23,25H,3,6,13-18,20,22,35H2,1-2H3;5-10,15-17,20H,3-4,11-14,18-19,35H2,1-2H3;6-9,16-17,19H,4-5,10-15,18,32H2,1-3H3;7-10,17-18,20-21H,4-6,11-16,19,29H2,1-3H3;4-7,14-15,17H,2-3,8-13,16,29H2,1H3.
What are the key properties of 3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine?
3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine has a molecular weight of 2418.56 g/mol, XLogP of 32.16, 42 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine is sourced from PubChem (CID 161323476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).