5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C100H106F12N8O10 — CID 167617103

IUPAC5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)CC1CCC(=O)NC1.Cc1ccccc1CN(Cc1ccc(=O)[nH]c1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1ccc2ncccc2c1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1ccncc1)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H27F3N2O2.C24H29F3N2O3.C24H25F3N2O3.C24H25F3N2O2/c1-20-5-2-3-6-23(20)17-33(16-21-8-13-27-22(15-21)7-4-14-32-27)18-25(34)19-35-26-11-9-24(10-12-26)28(29,30)31;2*1-17-4-2-3-5-19(17)14-29(13-18-6-11-23(31)28-12-18)15-21(30)16-32-22-9-7-20(8-10-22)24(25,26)27;1-18-4-2-3-5-20(18)15-29(14-19-10-12-28-13-11-19)16-22(30)17-31-23-8-6-21(7-9-23)24(25,26)27/h2-15,25,34H,16-19H2,1H3;2-5,7-10,18,21,30H,6,11-16H2,1H3,(H,28,31);2-12,21,30H,13-16H2,1H3,(H,28,31);2-13,22,30H,14-17H2,1H3
InChIKeyLXAVHKXFOYWXAQ-UHFFFAOYSA-N
MW1807.97 g/mol
LogP18.78
Rot. Bonds36

About 5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167617103) has the molecular formula C100H106F12N8O10 and a molecular weight of 1807.97 g/mol. Its IUPAC name is 5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID167617103
Molecular FormulaC100H106F12N8O10
Molecular Weight1807.97 g/mol
Exact Mass1806.78
IUPAC Name5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)CC1CCC(=O)NC1.Cc1ccccc1CN(Cc1ccc(=O)[nH]c1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1ccc2ncccc2c1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1ccncc1)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H27F3N2O2.C24H29F3N2O3.C24H25F3N2O3.C24H25F3N2O2/c1-20-5-2-3-6-23(20)17-33(16-21-8-13-27-22(15-21)7-4-14-32-27)18-25(34)19-35-26-11-9-24(10-12-26)28(29,30)31;2*1-17-4-2-3-5-19(17)14-29(13-18-6-11-23(31)28-12-18)15-21(30)16-32-22-9-7-20(8-10-22)24(25,26)27;1-18-4-2-3-5-20(18)15-29(14-19-10-12-28-13-11-19)16-22(30)17-31-23-8-6-21(7-9-23)24(25,26)27/h2-15,25,34H,16-19H2,1H3;2-5,7-10,18,21,30H,6,11-16H2,1H3,(H,28,31);2-12,21,30H,13-16H2,1H3,(H,28,31);2-13,22,30H,14-17H2,1H3
InChIKeyLXAVHKXFOYWXAQ-UHFFFAOYSA-N
XLogP18.78
TPSA218.54 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001807.97
LogP ≤ 518.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

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Related Compounds

1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol
CID 167566927
1-[cyclopenta-1,3-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166010540
1-[(3-methylimidazol-4-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166010608
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167637599
3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide
CID 167570832
3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzonitrile
CID 167570831
(2R)-1-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129428443
1-[cyclohexyl(methyl)amino]-3-[2-[(quinolin-6-ylmethylamino)methyl]phenoxy]propan-2-ol
CID 45179199
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938
2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 46996447
1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717323
(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93162759

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167617103) is 5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)CC1CCC(=O)NC1.Cc1ccccc1CN(Cc1ccc(=O)[nH]c1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1ccc2ncccc2c1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1ccncc1)CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is LXAVHKXFOYWXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N2O2.C24H29F3N2O3.C24H25F3N2O3.C24H25F3N2O2/c1-20-5-2-3-6-23(20)17-33(16-21-8-13-27-22(15-21)7-4-14-32-27)18-25(34)19-35-26-11-9-24(10-12-26)28(29,30)31;2*1-17-4-2-3-5-19(17)14-29(13-18-6-11-23(31)28-12-18)15-21(30)16-32-22-9-7-20(8-10-22)24(25,26)27;1-18-4-2-3-5-20(18)15-29(14-19-10-12-28-13-11-19)16-22(30)17-31-23-8-6-21(7-9-23)24(25,26)27/h2-15,25,34H,16-19H2,1H3;2-5,7-10,18,21,30H,6,11-16H2,1H3,(H,28,31);2-12,21,30H,13-16H2,1H3,(H,28,31);2-13,22,30H,14-17H2,1H3.
What are the key properties of 5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 1807.97 g/mol, XLogP of 18.78, 36 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167617103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).