1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C92H105F12N9O8 — CID 167535827

IUPAC1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(CC1CCCCC1)CC1CCCCC1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1ccccc1)Cc1cncnc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C24H25F3N2O2.C24H36F3NO2.2C22H22F3N3O2/c1-18-5-2-3-7-20(18)15-29(14-19-6-4-12-28-13-19)16-22(30)17-31-23-10-8-21(9-11-23)24(25,26)27;25-24(26,27)21-11-13-23(14-12-21)30-18-22(29)17-28(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20;23-22(24,25)19-5-7-21(8-6-19)30-16-20(29)15-28(13-17-3-1-9-26-11-17)14-18-4-2-10-27-12-18;23-22(24,25)19-6-8-21(9-7-19)30-15-20(29)14-28(12-17-4-2-1-3-5-17)13-18-10-26-16-27-11-18/h2-13,22,30H,14-17H2,1H3;11-14,19-20,22,29H,1-10,15-18H2;1-12,20,29H,13-16H2;1-11,16,20,29H,12-15H2
InChIKeyANYDOQGZCUCJQW-UHFFFAOYSA-N
MW1692.88 g/mol
LogP18.63
Rot. Bonds36

About 1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167535827) has the molecular formula C92H105F12N9O8 and a molecular weight of 1692.88 g/mol. Its IUPAC name is 1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID167535827
Molecular FormulaC92H105F12N9O8
Molecular Weight1692.88 g/mol
Exact Mass1691.79
IUPAC Name1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(CC1CCCCC1)CC1CCCCC1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1ccccc1)Cc1cncnc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C24H25F3N2O2.C24H36F3NO2.2C22H22F3N3O2/c1-18-5-2-3-7-20(18)15-29(14-19-6-4-12-28-13-19)16-22(30)17-31-23-10-8-21(9-11-23)24(25,26)27;25-24(26,27)21-11-13-23(14-12-21)30-18-22(29)17-28(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20;23-22(24,25)19-5-7-21(8-6-19)30-16-20(29)15-28(13-17-3-1-9-26-11-17)14-18-4-2-10-27-12-18;23-22(24,25)19-6-8-21(9-7-19)30-15-20(29)14-28(12-17-4-2-1-3-5-17)13-18-10-26-16-27-11-18/h2-13,22,30H,14-17H2,1H3;11-14,19-20,22,29H,1-10,15-18H2;1-12,20,29H,13-16H2;1-11,16,20,29H,12-15H2
InChIKeyANYDOQGZCUCJQW-UHFFFAOYSA-N
XLogP18.63
TPSA195.25 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001692.88
LogP ≤ 518.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(4-Fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)
CID 123162547
4-[2-[[4,5-Diethoxy-2-(2-methyl-5-propan-2-ylphenyl)phenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[[6-[[4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)phenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3-pyridinyl]oxy]butanoic acid;4-[[6-[[5-methyl-2-(2-methyl-5-propan-2-ylphenyl)phenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3-pyridinyl]oxy]butanoic acid;4-[2-[[4-methyl-2-(2-methyl-5-propan-2-ylphenyl)phenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid
CID 123334963
2-(2,4-Difluorophenyl)-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;ethane;2-(3-fluorophenyl)-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol
CID 144947631
1-[2-[[4-[(1-Hydroxy-2-phenoxyethyl)-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]amino]cyclohexyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3-methylazetidin-3-ol
CID 156099455
CID 157231012
CID 157231012
1-fluoro-4-methyl-2-propoxybenzene;2-[(3S,4R)-3-methyl-4-(4-methyl-2-propoxyphenoxy)piperidin-1-yl]-5-(trifluoromethyl)pyridine;(3S,4S)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 157633457
CID 157692924
CID 157692924
CID 157720778
CID 157720778
CID 157725867
CID 157725867
2-[4-(1,1-Difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine
CID 158443392
CID 158515808
CID 158515808
CID 158584934
CID 158584934

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167535827) is 1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1ccccc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(CC1CCCCC1)CC1CCCCC1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1ccccc1)Cc1cncnc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1cccnc1.
What is the InChIKey of 1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is ANYDOQGZCUCJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O2.C24H36F3NO2.2C22H22F3N3O2/c1-18-5-2-3-7-20(18)15-29(14-19-6-4-12-28-13-19)16-22(30)17-31-23-10-8-21(9-11-23)24(25,26)27;25-24(26,27)21-11-13-23(14-12-21)30-18-22(29)17-28(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20;23-22(24,25)19-5-7-21(8-6-19)30-16-20(29)15-28(13-17-3-1-9-26-11-17)14-18-4-2-10-27-12-18;23-22(24,25)19-6-8-21(9-7-19)30-15-20(29)14-28(12-17-4-2-1-3-5-17)13-18-10-26-16-27-11-18/h2-13,22,30H,14-17H2,1H3;11-14,19-20,22,29H,1-10,15-18H2;1-12,20,29H,13-16H2;1-11,16,20,29H,12-15H2.
What are the key properties of 1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 1692.88 g/mol, XLogP of 18.63, 36 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167535827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).