1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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

C148H186ClF9N16O4 — CID 159233429

IUPAC1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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
SMILESCCNC1CCCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2CC)cn3CCCN)C1.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(CN3CCc4cc(C)ccc4C3)cc12.CCc1cc(OC)ccc1-c1cn(CCCN)c2ccc(CC3CCN(CC)CC3)cc12
InChIInChI=1S/C33H40ClN3.C31H34F3N3O.C28H37F3N4O.C28H36F3N3O.C28H39N3O/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;1-3-21-16-23(36-28(29,30)31)9-10-24(21)26-19-35(14-6-12-32)27-11-8-20(15-25(26)27)17-34-13-5-7-22(18-34)33-4-2;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;1-4-23-19-24(32-3)8-9-25(23)27-20-31(14-6-13-29)28-10-7-22(18-26(27)28)17-21-11-15-30(5-2)16-12-21/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;8-11,15-16,19,22,33H,3-7,12-14,17-18,32H2,1-2H3;6-9,16-17,19H,4-5,10-15,18,32H2,1-3H3;7-10,18-21H,4-6,11-17,29H2,1-3H3
InChIKeyKTEJHBVVJRKFIH-UHFFFAOYSA-N
MW2459.66 g/mol
LogP32.56
Rot. Bonds44

About 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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

1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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 (PubChem CID 159233429) has the molecular formula C148H186ClF9N16O4 and a molecular weight of 2459.66 g/mol. Its IUPAC name is 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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.

Molecular Properties

Compound Name1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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
PubChem CID159233429
Molecular FormulaC148H186ClF9N16O4
Molecular Weight2459.66 g/mol
Exact Mass2457.44
IUPAC Name1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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
SMILESCCNC1CCCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2CC)cn3CCCN)C1.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(CN3CCc4cc(C)ccc4C3)cc12.CCc1cc(OC)ccc1-c1cn(CCCN)c2ccc(CC3CCN(CC)CC3)cc12
InChIInChI=1S/C33H40ClN3.C31H34F3N3O.C28H37F3N4O.C28H36F3N3O.C28H39N3O/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;1-3-21-16-23(36-28(29,30)31)9-10-24(21)26-19-35(14-6-12-32)27-11-8-20(15-25(26)27)17-34-13-5-7-22(18-34)33-4-2;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;1-4-23-19-24(32-3)8-9-25(23)27-20-31(14-6-13-29)28-10-7-22(18-26(27)28)17-21-11-15-30(5-2)16-12-21/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;8-11,15-16,19,22,33H,3-7,12-14,17-18,32H2,1-2H3;6-9,16-17,19H,4-5,10-15,18,32H2,1-3H3;7-10,18-21H,4-6,11-17,29H2,1-3H3
InChIKeyKTEJHBVVJRKFIH-UHFFFAOYSA-N
XLogP32.56
TPSA219.90 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds44
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002459.66
LogP ≤ 532.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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 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-[3-[2-(aminomethyl)-4-(trifluoromethoxy)phenyl]-5-[[4-[(2-chloro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]-1-N'-[3-[3-[2-(aminomethyl)-4-(trifluoromethoxy)phenyl]-5-[[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propyl]propane-1,1-diamine
CID 129201034
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
1-[3-(Aminomethyl)-4-[1-(3-aminopropyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]-3-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129201440
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
N-[3-[5-[[5-[(2,6-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[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]-4-(trifluoromethyl)phenyl]piperazine-2-carboxamide
CID 129203829
N-[3-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[4-methyl-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 129203830
N-[3-[5-[[4-[[2,6-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[4-chloro-3-[[4-[[1-[3-(piperazine-2-carbonylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]phenyl]piperazine-2-carboxamide
CID 129203999
N-[[2-(3-chlorophenyl)-3-pyridinyl]methyl]-4-[1-[3-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylamino]ethenyl]piperidin-4-amine
CID 145323404
4-[1-[3-[5-[[5-[(2-Chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylamino]ethenyl]piperidin-4-amine
CID 145323475
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-[3-[1-(3-Aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]ethanone;4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(3-propylphenyl)indol-1-yl]propan-1-amine
CID 157130055

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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?
The IUPAC name of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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 (CID 159233429) is 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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.
What is the SMILES notation for 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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?
The canonical SMILES for 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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 is CCNC1CCCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2CC)cn3CCCN)C1.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(CN3CCc4cc(C)ccc4C3)cc12.CCc1cc(OC)ccc1-c1cn(CCCN)c2ccc(CC3CCN(CC)CC3)cc12.
What is the InChIKey of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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?
The InChIKey is KTEJHBVVJRKFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40ClN3.C31H34F3N3O.C28H37F3N4O.C28H36F3N3O.C28H39N3O/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;1-3-21-16-23(36-28(29,30)31)9-10-24(21)26-19-35(14-6-12-32)27-11-8-20(15-25(26)27)17-34-13-5-7-22(18-34)33-4-2;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;1-4-23-19-24(32-3)8-9-25(23)27-20-31(14-6-13-29)28-10-7-22(18-26(27)28)17-21-11-15-30(5-2)16-12-21/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;8-11,15-16,19,22,33H,3-7,12-14,17-18,32H2,1-2H3;6-9,16-17,19H,4-5,10-15,18,32H2,1-3H3;7-10,18-21H,4-6,11-17,29H2,1-3H3.
What are the key properties of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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?
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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 has a molecular weight of 2459.66 g/mol, XLogP of 32.56, 44 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-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-[(1-ethylpiperidin-4-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 is sourced from PubChem (CID 159233429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).