5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine

C127H108F9N13O11 — CID 158167263

IUPAC5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine
SMILESCN(C)CCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccc(C[C@H]3COC(=O)N3)cc12.N#Cc1cc(Oc2ccc(-n3cc(C[C@@H](N)CO)c4ccccc43)cc2)ccc1C(F)(F)F.N#Cc1cc(Oc2ccc(-n3cc(C[C@H](N)CO)c4ccccc43)cc2)ccc1C(F)(F)F.N#Cc1cc(Oc2ccc(-n3cc(C[C@H]4COC(=O)C4)c4ccccc43)cc2)ccc1C(F)(F)F.NCCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C28H29N3O3.C27H19F3N2O3.2C25H20F3N3O2.C22H20N2O/c1-30(2)15-14-21-18-31(23-9-11-25(12-10-23)34-24-6-4-3-5-7-24)27-13-8-20(17-26(21)27)16-22-19-33-28(32)29-22;28-27(29,30)24-10-9-22(13-18(24)14-31)35-21-7-5-20(6-8-21)32-15-19(11-17-12-26(33)34-16-17)23-3-1-2-4-25(23)32;2*26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-19(6-8-20)31-14-17(11-18(30)15-32)22-3-1-2-4-24(22)31;23-15-14-17-16-24(22-9-5-4-8-21(17)22)18-10-12-20(13-11-18)25-19-6-2-1-3-7-19/h3-13,17-18,22H,14-16,19H2,1-2H3,(H,29,32);1-10,13,15,17H,11-12,16H2;2*1-10,12,14,18,32H,11,15,30H2;1-13,16H,14-15,23H2/t22-;17-;2*18-;/m0110./s1
InChIKeyFWZQDPJZRVVHQP-WPKUYMGFSA-N
MW2163.32 g/mol
LogP26.87
Rot. Bonds30

About 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine

5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine (PubChem CID 158167263) has the molecular formula C127H108F9N13O11 and a molecular weight of 2163.32 g/mol. Its IUPAC name is 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine.

Molecular Properties

Compound Name5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine
PubChem CID158167263
Molecular FormulaC127H108F9N13O11
Molecular Weight2163.32 g/mol
Exact Mass2161.81
IUPAC Name5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine
SMILESCN(C)CCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccc(C[C@H]3COC(=O)N3)cc12.N#Cc1cc(Oc2ccc(-n3cc(C[C@@H](N)CO)c4ccccc43)cc2)ccc1C(F)(F)F.N#Cc1cc(Oc2ccc(-n3cc(C[C@H](N)CO)c4ccccc43)cc2)ccc1C(F)(F)F.N#Cc1cc(Oc2ccc(-n3cc(C[C@H]4COC(=O)C4)c4ccccc43)cc2)ccc1C(F)(F)F.NCCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C28H29N3O3.C27H19F3N2O3.2C25H20F3N3O2.C22H20N2O/c1-30(2)15-14-21-18-31(23-9-11-25(12-10-23)34-24-6-4-3-5-7-24)27-13-8-20(17-26(21)27)16-22-19-33-28(32)29-22;28-27(29,30)24-10-9-22(13-18(24)14-31)35-21-7-5-20(6-8-21)32-15-19(11-17-12-26(33)34-16-17)23-3-1-2-4-25(23)32;2*26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-19(6-8-20)31-14-17(11-18(30)15-32)22-3-1-2-4-24(22)31;23-15-14-17-16-24(22-9-5-4-8-21(17)22)18-10-12-20(13-11-18)25-19-6-2-1-3-7-19/h3-13,17-18,22H,14-16,19H2,1-2H3,(H,29,32);1-10,13,15,17H,11-12,16H2;2*1-10,12,14,18,32H,11,15,30H2;1-13,16H,14-15,23H2/t22-;17-;2*18-;/m0110./s1
InChIKeyFWZQDPJZRVVHQP-WPKUYMGFSA-N
XLogP26.87
TPSA328.56 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002163.32
LogP ≤ 526.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine with MolForge

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Related Compounds

5-[4-[6-[[methyl-[2-[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1-(4-phenoxyphenyl)indol-3-yl]ethyl]amino]methyl]-3-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile
CID 134194635
2-[2-cyano-5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-isocyanophenoxy]propanoic acid;2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid;2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-5-(trifluoromethyl)phenoxy]propanoic acid;2-[5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid
CID 157101490
(2S)-2-[2-cyano-5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-isocyanophenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-5-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid
CID 157101491
CID 157612956
CID 157612956
5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine
CID 158099655
[8-[(1S,13S,17S,20S,23S,29S,53R,58R,61S)-48-fluoro-20-[(1R)-1-hydroxyethyl]-23-[(4-methoxyphenyl)methyl]-29,61-dimethyl-10,18,21,24,30,55,57,60,63,66,69-undecaoxo-12,39-dioxa-9,16,19,22,25,31,44,56,59,62,67-undecazanonacyclo[34.19.13.13,7.116,53.134,38.144,51.013,17.025,29.045,50]doheptaconta-3(72),4,6,34,36,38(71),45(50),46,48,51(70)-decaen-58-yl]-6-oxooctyl]-trimethylazanium;[8-[(1S,13S,17S,20S,23S,29S,55R,60R,63S)-50-fluoro-20-[(1R)-1-hydroxyethyl]-23-[(4-methoxyphenyl)methyl]-29,63-dimethyl-10,18,21,24,30,57,59,62,65,68,71-undecaoxo-12,40-dioxa-9,16,19,22,25,31,46,58,61,64,69-undecazanonacyclo[35.20.13.13,7.116,55.134,38.146,53.013,17.025,29.047,52]tetraheptaconta-3(74),4,6,34(73),35,37,47(52),48,50,53(72)-decaen-60-yl]-6-oxooctyl]-trimethylazanium;2,2,2-trifluoroacetate;chloride
CID 158202556
N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
CID 158428036
2-[[2-[3-(2-Aminoethyl)-5-[(3-cyanophenyl)methoxy]indol-1-yl]acetyl]-methylamino]acetic acid;3-[[3-(2-aminoethyl)-5-[(4-cyanophenyl)methoxy]indol-1-yl]methyl]benzoic acid;2,2,2-trifluoroacetic acid
CID 158614373
5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;methane;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine
CID 159064310
(2S)-2-[2-cyano-5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-5-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid
CID 159147183
5-[4-[3-[(2S)-2,3-dihydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;1H-indole;3-prop-2-enyl-1H-indole;5-[4-(3-prop-2-enylindol-1-yl)phenoxy]-2-(trifluoromethyl)benzonitrile
CID 160584616
(2S)-2-[2-cyano-5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-5-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid
CID 160908894

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine?
The IUPAC name of 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine (CID 158167263) is 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine.
What is the SMILES notation for 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine?
The canonical SMILES for 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine is CN(C)CCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccc(C[C@H]3COC(=O)N3)cc12.N#Cc1cc(Oc2ccc(-n3cc(C[C@@H](N)CO)c4ccccc43)cc2)ccc1C(F)(F)F.N#Cc1cc(Oc2ccc(-n3cc(C[C@H](N)CO)c4ccccc43)cc2)ccc1C(F)(F)F.N#Cc1cc(Oc2ccc(-n3cc(C[C@H]4COC(=O)C4)c4ccccc43)cc2)ccc1C(F)(F)F.NCCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12.
What is the InChIKey of 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine?
The InChIKey is FWZQDPJZRVVHQP-WPKUYMGFSA-N. The full InChI is InChI=1S/C28H29N3O3.C27H19F3N2O3.2C25H20F3N3O2.C22H20N2O/c1-30(2)15-14-21-18-31(23-9-11-25(12-10-23)34-24-6-4-3-5-7-24)27-13-8-20(17-26(21)27)16-22-19-33-28(32)29-22;28-27(29,30)24-10-9-22(13-18(24)14-31)35-21-7-5-20(6-8-21)32-15-19(11-17-12-26(33)34-16-17)23-3-1-2-4-25(23)32;2*26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-19(6-8-20)31-14-17(11-18(30)15-32)22-3-1-2-4-24(22)31;23-15-14-17-16-24(22-9-5-4-8-21(17)22)18-10-12-20(13-11-18)25-19-6-2-1-3-7-19/h3-13,17-18,22H,14-16,19H2,1-2H3,(H,29,32);1-10,13,15,17H,11-12,16H2;2*1-10,12,14,18,32H,11,15,30H2;1-13,16H,14-15,23H2/t22-;17-;2*18-;/m0110./s1.
What are the key properties of 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine?
5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine has a molecular weight of 2163.32 g/mol, XLogP of 26.87, 30 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine is sourced from PubChem (CID 158167263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).