1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C94H99F12N11O8 — CID 167622343

IUPAC1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccncc1CN(Cc1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccncc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ncccc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ncccc1CN(Cc1cccnc1C)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H26F3N3O2.C24H25F3N2O2.2C23H24F3N3O2/c1-17-19(5-3-11-28-17)13-30(14-20-6-4-12-29-18(20)2)15-22(31)16-32-23-9-7-21(8-10-23)24(25,26)27;1-18-11-12-28-13-20(18)15-29(14-19-5-3-2-4-6-19)16-22(30)17-31-23-9-7-21(8-10-23)24(25,26)27;1-17-19(5-3-11-28-17)14-29(13-18-4-2-10-27-12-18)15-21(30)16-31-22-8-6-20(7-9-22)23(24,25)26;1-17-8-10-28-12-19(17)14-29(13-18-3-2-9-27-11-18)15-21(30)16-31-22-6-4-20(5-7-22)23(24,25)26/h3-12,22,31H,13-16H2,1-2H3;2-13,22,30H,14-17H2,1H3;2*2-12,21,30H,13-16H2,1H3
InChIKeyMPSAZUKZINWMJI-UHFFFAOYSA-N
MW1738.87 g/mol
LogP17.90
Rot. Bonds36

About 1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167622343) has the molecular formula C94H99F12N11O8 and a molecular weight of 1738.87 g/mol. Its IUPAC name is 1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID167622343
Molecular FormulaC94H99F12N11O8
Molecular Weight1738.87 g/mol
Exact Mass1737.75
IUPAC Name1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccncc1CN(Cc1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccncc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ncccc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ncccc1CN(Cc1cccnc1C)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H26F3N3O2.C24H25F3N2O2.2C23H24F3N3O2/c1-17-19(5-3-11-28-17)13-30(14-20-6-4-12-29-18(20)2)15-22(31)16-32-23-9-7-21(8-10-23)24(25,26)27;1-18-11-12-28-13-20(18)15-29(14-19-5-3-2-4-6-19)16-22(30)17-31-23-9-7-21(8-10-23)24(25,26)27;1-17-19(5-3-11-28-17)14-29(13-18-4-2-10-27-12-18)15-21(30)16-31-22-8-6-20(7-9-22)23(24,25)26;1-17-8-10-28-12-19(17)14-29(13-18-3-2-9-27-11-18)15-21(30)16-31-22-6-4-20(5-7-22)23(24,25)26/h3-12,22,31H,13-16H2,1-2H3;2-13,22,30H,14-17H2,1H3;2*2-12,21,30H,13-16H2,1H3
InChIKeyMPSAZUKZINWMJI-UHFFFAOYSA-N
XLogP17.90
TPSA221.03 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds36
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001738.87
LogP ≤ 517.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

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Related Compounds

1,3-Bis(trifluoromethyl)benzene-5-ide;bis(copper(1+));2-[[2-(dipyridin-2-ylmethoxy)phenoxy]-pyridin-2-ylmethyl]pyridine;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 168333700
1-[1-[2-(3,5-Difluorophenoxy)ethyl]-4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]piperidin-4-yl]-2-[4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidin-4-yl]ethane-1,2-diol
CID 88100279
5-Butoxy-2-[2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethynyl]pyridine;5-pentoxy-2-[2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethynyl]pyridine;5-propoxy-2-[2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethynyl]pyridine
CID 88624427
(2S)-1,2-bis(4-fluorophenyl)-N,N'-dimethyl-N,N'-bis[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine
CID 137423629
(2S)-N,N'-bis[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1,2-bis(4-fluorophenyl)-N,N'-dimethyl-1,2-dipyridin-2-ylethane-1,2-diamine
CID 137423743
2-[[1-Methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridin-2-yl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
CID 143618655
1-[(2-Methylphenyl)methyl-(2-pyridin-2-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 156167116
5-(3,5-Difluorophenyl)-1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;5-(4-fluorophenyl)-1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;methane;5-(4-methoxyphenyl)-1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyrazin-1-ium;[4-methyl-3-(2-methylphenyl)-6-phenylpyrazin-4-ium-2-yl]methanol;1,2,5-trimethyl-6-(2-methylphenyl)-3-phenylpyrazin-1-ium
CID 157174933
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]pyridine;3-[3-[3-[3-[4-[2-[4-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]ethoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 157280274
3-Tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 157676301
2-[[4,5-Bis(trifluoromethyl)-3-pyridinyl]oxy]-1-phenylethanamine;2-[(2,4-dimethyl-3-pyridinyl)oxy]-1-phenylethanamine;2-[(4,5-dimethyl-3-pyridinyl)oxy]-1-phenylethanamine;2-[(4-methyl-3-pyridinyl)oxy]-1-phenylethanamine;1-phenyl-2-[[4-(trifluoromethyl)-3-pyridinyl]oxy]ethanamine
CID 158094141
5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(4-fluoropiperidin-1-yl)-2-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-ylpyridine;5-(1-methylpiperidin-4-yl)-2-propan-2-ylpyridine;1-methyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine;1-methyl-4-(6-propan-2-yl-3-pyridinyl)piperazine;5-piperidin-1-yl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine;3-[(6-propan-2-yl-3-pyridinyl)oxy]propane-1,2-diol;(3S,4S)-1-(6-propan-2-yl-3-pyridinyl)piperidine-3,4-diol;1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;2-propan-2-yl-5-pyrrolidin-1-ylpyridine
CID 158278873

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167622343) is 1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1ccncc1CN(Cc1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccncc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ncccc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ncccc1CN(Cc1cccnc1C)CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is MPSAZUKZINWMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2.C24H25F3N2O2.2C23H24F3N3O2/c1-17-19(5-3-11-28-17)13-30(14-20-6-4-12-29-18(20)2)15-22(31)16-32-23-9-7-21(8-10-23)24(25,26)27;1-18-11-12-28-13-20(18)15-29(14-19-5-3-2-4-6-19)16-22(30)17-31-23-9-7-21(8-10-23)24(25,26)27;1-17-19(5-3-11-28-17)14-29(13-18-4-2-10-27-12-18)15-21(30)16-31-22-8-6-20(7-9-22)23(24,25)26;1-17-8-10-28-12-19(17)14-29(13-18-3-2-9-27-11-18)15-21(30)16-31-22-6-4-20(5-7-22)23(24,25)26/h3-12,22,31H,13-16H2,1-2H3;2-13,22,30H,14-17H2,1H3;2*2-12,21,30H,13-16H2,1H3.
What are the key properties of 1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 1738.87 g/mol, XLogP of 17.90, 36 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167622343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).