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

C93H95ClF12N10O8 — CID 167619848

IUPAC1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cn1.Cc1ccccc1CN(Cc1cncnc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ncccc1CN(Cc1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1ccccc1Cl
InChIInChI=1S/C24H25F3N2O2.C23H22ClF3N2O2.2C23H24F3N3O2/c1-18-20(8-5-13-28-18)15-29(14-19-6-3-2-4-7-19)16-22(30)17-31-23-11-9-21(10-12-23)24(25,26)27;24-22-6-2-1-5-18(22)14-29(13-17-4-3-11-28-12-17)15-20(30)16-31-21-9-7-19(8-10-21)23(25,26)27;1-17-5-2-3-7-19(17)14-29(13-18-6-4-10-27-11-18)15-21(30)16-31-22-9-8-20(12-28-22)23(24,25)26;1-17-4-2-3-5-19(17)13-29(12-18-10-27-16-28-11-18)14-21(30)15-31-22-8-6-20(7-9-22)23(24,25)26/h2-13,22,30H,14-17H2,1H3;1-12,20,30H,13-16H2;2-12,21,30H,13-16H2,1H3;2-11,16,21,30H,12-15H2,1H3
InChIKeyMGZJMROHVFDEOQ-UHFFFAOYSA-N
MW1744.27 g/mol
LogP18.54
Rot. Bonds36

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

1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167619848) has the molecular formula C93H95ClF12N10O8 and a molecular weight of 1744.27 g/mol. Its IUPAC name is 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID167619848
Molecular FormulaC93H95ClF12N10O8
Molecular Weight1744.27 g/mol
Exact Mass1742.68
IUPAC Name1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cn1.Cc1ccccc1CN(Cc1cncnc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ncccc1CN(Cc1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1ccccc1Cl
InChIInChI=1S/C24H25F3N2O2.C23H22ClF3N2O2.2C23H24F3N3O2/c1-18-20(8-5-13-28-18)15-29(14-19-6-3-2-4-7-19)16-22(30)17-31-23-11-9-21(10-12-23)24(25,26)27;24-22-6-2-1-5-18(22)14-29(13-17-4-3-11-28-12-17)15-20(30)16-31-21-9-7-19(8-10-21)23(25,26)27;1-17-5-2-3-7-19(17)14-29(13-18-6-4-10-27-11-18)15-21(30)16-31-22-9-8-20(12-28-22)23(24,25)26;1-17-4-2-3-5-19(17)13-29(12-18-10-27-16-28-11-18)14-21(30)15-31-22-8-6-20(7-9-22)23(24,25)26/h2-13,22,30H,14-17H2,1H3;1-12,20,30H,13-16H2;2-12,21,30H,13-16H2,1H3;2-11,16,21,30H,12-15H2,1H3
InChIKeyMGZJMROHVFDEOQ-UHFFFAOYSA-N
XLogP18.54
TPSA208.14 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001744.27
LogP ≤ 518.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-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-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167619848) is 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1ccccc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cn1.Cc1ccccc1CN(Cc1cncnc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ncccc1CN(Cc1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1ccccc1Cl.
What is the InChIKey of 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is MGZJMROHVFDEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O2.C23H22ClF3N2O2.2C23H24F3N3O2/c1-18-20(8-5-13-28-18)15-29(14-19-6-3-2-4-7-19)16-22(30)17-31-23-11-9-21(10-12-23)24(25,26)27;24-22-6-2-1-5-18(22)14-29(13-17-4-3-11-28-12-17)15-20(30)16-31-21-9-7-19(8-10-21)23(25,26)27;1-17-5-2-3-7-19(17)14-29(13-18-6-4-10-27-11-18)15-21(30)16-31-22-9-8-20(12-28-22)23(24,25)26;1-17-4-2-3-5-19(17)13-29(12-18-10-27-16-28-11-18)14-21(30)15-31-22-8-6-20(7-9-22)23(24,25)26/h2-13,22,30H,14-17H2,1H3;1-12,20,30H,13-16H2;2-12,21,30H,13-16H2,1H3;2-11,16,21,30H,12-15H2,1H3.
What are the key properties of 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 1744.27 g/mol, XLogP of 18.54, 36 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167619848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).