2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine

C184H263ClN14O13S4 — CID 161439600

IUPAC2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine
SMILESCC(=O)CN(C)CCOc1cccc(C(C)(C)C)c1.CC(=O)N1CC[C@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cc2cccc(Cl)c2[nH]1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1ccnc(CC2CN(S(C)(=O)=O)C2)c1.CC(C)(C)c1nccc2ccccc12.CN1CCCC(CCc2cc(C(C)(C)C)ccn2)C1.CN1CCOC(CCc2cc(C(C)(C)C)ccn2)C1
InChIInChI=1S/C17H28N2.C17H25NO.C16H26N2O.2C16H25NO2S.C16H25NO2.C14H22N2O2S.C13H15N.C12H14ClN.C12H15N.C12H16O2.C12H14O.C11H13NS/c1-17(2,3)15-9-10-18-16(12-15)8-7-14-6-5-11-19(4)13-14;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-16(2,3)13-7-8-17-14(11-13)5-6-15-12-18(4)9-10-19-15;2*1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-13(18)12-17(5)9-10-19-15-8-6-7-14(11-15)16(2,3)4;1-14(2,3)12-5-6-15-13(8-12)7-11-9-16(10-11)19(4,17)18;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h9-10,12,14H,5-8,11,13H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;7-8,11,15H,5-6,9-10,12H2,1-4H3;2*5-7,11,14H,8-10,12H2,1-4H3;6-8,11H,9-10,12H2,1-5H3;5-6,8,11H,7,9-10H2,1-4H3;4-9H,1-3H3;4-7,14H,1-3H3;4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3/t;15-;;2*14-;;;;;;;;/m.1.10......../s1
InChIKeyVZCCXTBOLKWRED-KCZUIQCTSA-N
MW3042.93 g/mol
LogP41.20
Rot. Bonds23

About 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine

2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine (PubChem CID 161439600) has the molecular formula C184H263ClN14O13S4 and a molecular weight of 3042.93 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine
PubChem CID161439600
Molecular FormulaC184H263ClN14O13S4
Molecular Weight3042.93 g/mol
Exact Mass3039.89
IUPAC Name2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine
SMILESCC(=O)CN(C)CCOc1cccc(C(C)(C)C)c1.CC(=O)N1CC[C@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cc2cccc(Cl)c2[nH]1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1ccnc(CC2CN(S(C)(=O)=O)C2)c1.CC(C)(C)c1nccc2ccccc12.CN1CCCC(CCc2cc(C(C)(C)C)ccn2)C1.CN1CCOC(CCc2cc(C(C)(C)C)ccn2)C1
InChIInChI=1S/C17H28N2.C17H25NO.C16H26N2O.2C16H25NO2S.C16H25NO2.C14H22N2O2S.C13H15N.C12H14ClN.C12H15N.C12H16O2.C12H14O.C11H13NS/c1-17(2,3)15-9-10-18-16(12-15)8-7-14-6-5-11-19(4)13-14;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-16(2,3)13-7-8-17-14(11-13)5-6-15-12-18(4)9-10-19-15;2*1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-13(18)12-17(5)9-10-19-15-8-6-7-14(11-15)16(2,3)4;1-14(2,3)12-5-6-15-13(8-12)7-11-9-16(10-11)19(4,17)18;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h9-10,12,14H,5-8,11,13H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;7-8,11,15H,5-6,9-10,12H2,1-4H3;2*5-7,11,14H,8-10,12H2,1-4H3;6-8,11H,9-10,12H2,1-5H3;5-6,8,11H,7,9-10H2,1-4H3;4-9H,1-3H3;4-7,14H,1-3H3;4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3/t;15-;;2*14-;;;;;;;;/m.1.10......../s1
InChIKeyVZCCXTBOLKWRED-KCZUIQCTSA-N
XLogP41.20
TPSA305.33 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003042.93
LogP ≤ 541.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 158193775
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;methane;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 159448199
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 160221961
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
CID 157082365
2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
CID 158011129
2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 158569087
2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide
CID 159675294
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
CID 160035966
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
CID 160738065
2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 161538001
2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine
CID 161913920

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine?
The IUPAC name of 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine (CID 161439600) is 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine.
What is the SMILES notation for 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine?
The canonical SMILES for 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine is CC(=O)CN(C)CCOc1cccc(C(C)(C)C)c1.CC(=O)N1CC[C@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cc2cccc(Cl)c2[nH]1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1ccnc(CC2CN(S(C)(=O)=O)C2)c1.CC(C)(C)c1nccc2ccccc12.CN1CCCC(CCc2cc(C(C)(C)C)ccn2)C1.CN1CCOC(CCc2cc(C(C)(C)C)ccn2)C1.
What is the InChIKey of 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine?
The InChIKey is VZCCXTBOLKWRED-KCZUIQCTSA-N. The full InChI is InChI=1S/C17H28N2.C17H25NO.C16H26N2O.2C16H25NO2S.C16H25NO2.C14H22N2O2S.C13H15N.C12H14ClN.C12H15N.C12H16O2.C12H14O.C11H13NS/c1-17(2,3)15-9-10-18-16(12-15)8-7-14-6-5-11-19(4)13-14;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-16(2,3)13-7-8-17-14(11-13)5-6-15-12-18(4)9-10-19-15;2*1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-13(18)12-17(5)9-10-19-15-8-6-7-14(11-15)16(2,3)4;1-14(2,3)12-5-6-15-13(8-12)7-11-9-16(10-11)19(4,17)18;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h9-10,12,14H,5-8,11,13H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;7-8,11,15H,5-6,9-10,12H2,1-4H3;2*5-7,11,14H,8-10,12H2,1-4H3;6-8,11H,9-10,12H2,1-5H3;5-6,8,11H,7,9-10H2,1-4H3;4-9H,1-3H3;4-7,14H,1-3H3;4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3/t;15-;;2*14-;;;;;;;;/m.1.10......../s1.
What are the key properties of 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine?
2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine has a molecular weight of 3042.93 g/mol, XLogP of 41.20, 23 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine is sourced from PubChem (CID 161439600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).