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

C113H115F15N12O10S — CID 167616722

IUPAC1-[benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-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-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cncs1)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1ccccc1)Cc1cccnc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1ccccn1)Cc1ccccn1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1ccncc1)Cc1ccncc1
InChIInChI=1S/C24H25F3N2O2.C23H23F3N2O2.2C22H22F3N3O2.C22H23F3N2O2S/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;24-23(25,26)20-8-10-22(11-9-20)30-17-21(29)16-28(14-18-5-2-1-3-6-18)15-19-7-4-12-27-13-19;23-22(24,25)19-1-3-21(4-2-19)30-16-20(29)15-28(13-17-5-9-26-10-6-17)14-18-7-11-27-12-8-18;23-22(24,25)17-7-9-21(10-8-17)30-16-20(29)15-28(13-18-5-1-3-11-26-18)14-19-6-2-4-12-27-19;1-16-4-2-3-5-17(16)11-27(13-21-10-26-15-30-21)12-19(28)14-29-20-8-6-18(7-9-20)22(23,24)25/h2-13,22,30H,14-17H2,1H3;1-13,21,29H,14-17H2;2*1-12,20,29H,13-16H2;2-10,15,19,28H,11-14H2,1H3
InChIKeyLVRQYOXMGNMYMZ-UHFFFAOYSA-N
MW2118.27 g/mol
LogP22.18
Rot. Bonds45

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

1-[benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-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-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167616722) has the molecular formula C113H115F15N12O10S and a molecular weight of 2118.27 g/mol. Its IUPAC name is 1-[benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-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-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-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-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID167616722
Molecular FormulaC113H115F15N12O10S
Molecular Weight2118.27 g/mol
Exact Mass2116.83
IUPAC Name1-[benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-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-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cncs1)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1ccccc1)Cc1cccnc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1ccccn1)Cc1ccccn1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1ccncc1)Cc1ccncc1
InChIInChI=1S/C24H25F3N2O2.C23H23F3N2O2.2C22H22F3N3O2.C22H23F3N2O2S/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;24-23(25,26)20-8-10-22(11-9-20)30-17-21(29)16-28(14-18-5-2-1-3-6-18)15-19-7-4-12-27-13-19;23-22(24,25)19-1-3-21(4-2-19)30-16-20(29)15-28(13-17-5-9-26-10-6-17)14-18-7-11-27-12-8-18;23-22(24,25)17-7-9-21(10-8-17)30-16-20(29)15-28(13-18-5-1-3-11-26-18)14-19-6-2-4-12-27-19;1-16-4-2-3-5-17(16)11-27(13-21-10-26-15-30-21)12-19(28)14-29-20-8-6-18(7-9-20)22(23,24)25/h2-13,22,30H,14-17H2,1H3;1-13,21,29H,14-17H2;2*1-12,20,29H,13-16H2;2-10,15,19,28H,11-14H2,1H3
InChIKeyLVRQYOXMGNMYMZ-UHFFFAOYSA-N
XLogP22.18
TPSA253.73 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds45
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002118.27
LogP ≤ 522.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

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

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Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-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-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-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-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167616722) is 1-[benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-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-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-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-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-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-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1ccccc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cncs1)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1ccccc1)Cc1cccnc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1ccccn1)Cc1ccccn1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1ccncc1)Cc1ccncc1.
What is the InChIKey of 1-[benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-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-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is LVRQYOXMGNMYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O2.C23H23F3N2O2.2C22H22F3N3O2.C22H23F3N2O2S/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;24-23(25,26)20-8-10-22(11-9-20)30-17-21(29)16-28(14-18-5-2-1-3-6-18)15-19-7-4-12-27-13-19;23-22(24,25)19-1-3-21(4-2-19)30-16-20(29)15-28(13-17-5-9-26-10-6-17)14-18-7-11-27-12-8-18;23-22(24,25)17-7-9-21(10-8-17)30-16-20(29)15-28(13-18-5-1-3-11-26-18)14-19-6-2-4-12-27-19;1-16-4-2-3-5-17(16)11-27(13-21-10-26-15-30-21)12-19(28)14-29-20-8-6-18(7-9-20)22(23,24)25/h2-13,22,30H,14-17H2,1H3;1-13,21,29H,14-17H2;2*1-12,20,29H,13-16H2;2-10,15,19,28H,11-14H2,1H3.
What are the key properties of 1-[benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-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-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
1-[benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-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-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 2118.27 g/mol, XLogP of 22.18, 45 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-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-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167616722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).