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

C73H77F9N10O5 — CID 158094141

IUPAC2-[[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
SMILESCc1ccnc(C)c1OCC(N)c1ccccc1.Cc1ccncc1OCC(N)c1ccccc1.Cc1cncc(OCC(N)c2ccccc2)c1C.NC(COc1cncc(C(F)(F)F)c1C(F)(F)F)c1ccccc1.NC(COc1cnccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H12F6N2O.2C15H18N2O.C14H13F3N2O.C14H16N2O/c16-14(17,18)10-6-23-7-12(13(10)15(19,20)21)24-8-11(22)9-4-2-1-3-5-9;1-11-8-17-9-15(12(11)2)18-10-14(16)13-6-4-3-5-7-13;1-11-8-9-17-12(2)15(11)18-10-14(16)13-6-4-3-5-7-13;15-14(16,17)11-6-7-19-8-13(11)20-9-12(18)10-4-2-1-3-5-10;1-11-7-8-16-9-14(11)17-10-13(15)12-5-3-2-4-6-12/h1-7,11H,8,22H2;2*3-9,14H,10,16H2,1-2H3;1-8,12H,9,18H2;2-9,13H,10,15H2,1H3
InChIKeyFOLUNMCEGFPGTG-UHFFFAOYSA-N
MW1345.47 g/mol
LogP15.40
Rot. Bonds20

About 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

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 (PubChem CID 158094141) has the molecular formula C73H77F9N10O5 and a molecular weight of 1345.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID158094141
Molecular FormulaC73H77F9N10O5
Molecular Weight1345.47 g/mol
Exact Mass1344.59
IUPAC Name2-[[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
SMILESCc1ccnc(C)c1OCC(N)c1ccccc1.Cc1ccncc1OCC(N)c1ccccc1.Cc1cncc(OCC(N)c2ccccc2)c1C.NC(COc1cncc(C(F)(F)F)c1C(F)(F)F)c1ccccc1.NC(COc1cnccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H12F6N2O.2C15H18N2O.C14H13F3N2O.C14H16N2O/c16-14(17,18)10-6-23-7-12(13(10)15(19,20)21)24-8-11(22)9-4-2-1-3-5-9;1-11-8-17-9-15(12(11)2)18-10-14(16)13-6-4-3-5-7-13;1-11-8-9-17-12(2)15(11)18-10-14(16)13-6-4-3-5-7-13;15-14(16,17)11-6-7-19-8-13(11)20-9-12(18)10-4-2-1-3-5-10;1-11-7-8-16-9-14(11)17-10-13(15)12-5-3-2-4-6-12/h1-7,11H,8,22H2;2*3-9,14H,10,16H2,1-2H3;1-8,12H,9,18H2;2-9,13H,10,15H2,1H3
InChIKeyFOLUNMCEGFPGTG-UHFFFAOYSA-N
XLogP15.40
TPSA240.70 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001345.47
LogP ≤ 515.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

Bis[3,5-difluoro-2-(5-methoxy-2-pyridyl)phenyl]iridium(1+);5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridyl]pyridine;hexafluorophosphate
CID 166446739
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
Tetrakis[(2-pyridylmethyl)oxy]calix[4]arene
CID 15163580
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
5-Butoxy-2-[4-[difluoro-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenoxy]methyl]-3,5-difluorophenyl]pyridine
CID 89666482
1-[2-(Trifluoromethoxy)phenyl]-4-[1-[[2-[[4-[1-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 131991091
2-(1,1-Difluoro-2-methoxyethyl)-5-[3-(2-methoxypyridin-3-yl)pyridin-2-yl]oxypyridine
CID 135235764
5-[[2,2-Difluoro-2-[5-[3-(4-fluoro-2-methoxyphenyl)pyridin-2-yl]oxypyridin-2-yl]ethoxy]methyl]-2-[6-(1,1-difluoro-2-methoxyethyl)pyridin-3-yl]oxy-3-(2-methoxyphenyl)pyridine
CID 135246535
2,2-Difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine
CID 135246704
(2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine
CID 137423584
(2S)-N,N'-bis[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1,2-bis(3-methoxyphenyl)-N,N'-dimethyl-1,2-dipyridin-2-ylethane-1,2-diamine
CID 137423595
(2R)-N,N'-bis[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1,2-bis(3-methoxyphenyl)-1,2-dipyridin-2-ylethane-1,2-diamine
CID 137423621

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccnc(C)c1OCC(N)c1ccccc1.Cc1ccncc1OCC(N)c1ccccc1.Cc1cncc(OCC(N)c2ccccc2)c1C.NC(COc1cncc(C(F)(F)F)c1C(F)(F)F)c1ccccc1.NC(COc1cnccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is FOLUNMCEGFPGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N2O.2C15H18N2O.C14H13F3N2O.C14H16N2O/c16-14(17,18)10-6-23-7-12(13(10)15(19,20)21)24-8-11(22)9-4-2-1-3-5-9;1-11-8-17-9-15(12(11)2)18-10-14(16)13-6-4-3-5-7-13;1-11-8-9-17-12(2)15(11)18-10-14(16)13-6-4-3-5-7-13;15-14(16,17)11-6-7-19-8-13(11)20-9-12(18)10-4-2-1-3-5-10;1-11-7-8-16-9-14(11)17-10-13(15)12-5-3-2-4-6-12/h1-7,11H,8,22H2;2*3-9,14H,10,16H2,1-2H3;1-8,12H,9,18H2;2-9,13H,10,15H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1345.47 g/mol, XLogP of 15.40, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158094141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).