3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene

C215H276Cl8F3N15O23S3 — CID 159459189

IUPAC3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene
SMILESCC1CCN(C)CC1.CCOc1ccc(C)cc1.CCOc1ccc(C)nc1.CN1CCCC1.CN1CCCCC1.CN1CCOCC1.COc1cc(C)cc(OC)c1.COc1cc(C)cc(OC)n1.COc1ccc(C)cc1.Cc1cc(O)[nH]c(=O)c1.Cc1cc(O)cc(O)c1.Cc1cc[nH]c(=O)c1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)c(O)c1Cl.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1Cl.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1ccc(O)cc1.Cc1ccc(S(C)(=O)=O)cn1.Cc1cccc(Cl)c1.Cc1cccc(O)c1.Cc1ccccc1.Cc1ccccc1CO.Cc1ccccc1O.Cc1cccs1.Cc1ccnc(N)c1.Cc1ccnc(S(N)(=O)=O)c1.Cc1ccncc1.Cc1ccncc1C(C)(C)C.Cc1ccoc1C
InChIInChI=1S/C10H15N.C9H12O2.C9H12O.C8H11NO2.C8H11NO.2C8H10O.C7H6Cl2O.2C7H6Cl2.2C7H7Cl.C7H6F2.C7H7F.C7H9NO2S.C7H15N.C7H8O2.3C7H8O.C7H8.C6H8N2O2S.C6H8N2.C6H7NO2.C6H7NO.C6H7N.C6H13N.C6H8O.C5H11NO.C5H11N.C5H6S/c1-8-5-6-11-7-9(8)10(2,3)4;1-7-4-8(10-2)6-9(5-7)11-3;1-3-10-9-6-4-8(2)5-7-9;1-6-4-7(10-2)9-8(5-6)11-3;1-3-10-8-5-4-7(2)9-6-8;1-7-3-5-8(9-2)6-4-7;1-7-4-2-3-5-8(7)6-9;1-4-2-3-5(8)7(10)6(4)9;1-5-2-3-6(8)4-7(5)9;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-4-7(5-8-6)11(2,9)10;1-7-3-5-8(2)6-4-7;1-5-2-6(8)4-7(9)3-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;1-5-2-3-8-6(4-5)11(7,9)10;1-5-2-3-8-6(7)4-5;1-4-2-5(8)7-6(9)3-4;1-5-2-3-7-6(8)4-5;1-6-2-4-7-5-3-6;1-7-5-3-2-4-6-7;1-5-3-4-7-6(5)2;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5-3-2-4-6-5/h5-7H,1-4H3;4-6H,1-3H3;4-7H,3H2,1-2H3;4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;2-5,9H,6H2,1H3;2-3,10H,1H3;2*2-4H,1H3;2*2-5H,1H3;2-4H,1H3;2-5H,1H3;3-5H,1-2H3;7H,3-6H2,1-2H3;2-4,8-9H,1H3;3*2-5,8H,1H3;2-6H,1H3;2-4H,1H3,(H2,7,9,10);2-4H,1H3,(H2,7,8);2-3H,1H3,(H2,7,8,9);2-4H,1H3,(H,7,8);2-5H,1H3;2-6H2,1H3;3-4H,1-2H3;2-5H2,1H3;2-5H2,1H3;2-4H,1H3
InChIKeyLUJDRGSYDVKMMR-UHFFFAOYSA-N
MW3875.47 g/mol
LogP52.93
Rot. Bonds12

About 3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene

3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene (PubChem CID 159459189) has the molecular formula C215H276Cl8F3N15O23S3 and a molecular weight of 3875.47 g/mol. Its IUPAC name is 3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene.

Molecular Properties

Compound Name3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene
PubChem CID159459189
Molecular FormulaC215H276Cl8F3N15O23S3
Molecular Weight3875.47 g/mol
Exact Mass3868.75
IUPAC Name3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene
SMILESCC1CCN(C)CC1.CCOc1ccc(C)cc1.CCOc1ccc(C)nc1.CN1CCCC1.CN1CCCCC1.CN1CCOCC1.COc1cc(C)cc(OC)c1.COc1cc(C)cc(OC)n1.COc1ccc(C)cc1.Cc1cc(O)[nH]c(=O)c1.Cc1cc(O)cc(O)c1.Cc1cc[nH]c(=O)c1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)c(O)c1Cl.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1Cl.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1ccc(O)cc1.Cc1ccc(S(C)(=O)=O)cn1.Cc1cccc(Cl)c1.Cc1cccc(O)c1.Cc1ccccc1.Cc1ccccc1CO.Cc1ccccc1O.Cc1cccs1.Cc1ccnc(N)c1.Cc1ccnc(S(N)(=O)=O)c1.Cc1ccncc1.Cc1ccncc1C(C)(C)C.Cc1ccoc1C
InChIInChI=1S/C10H15N.C9H12O2.C9H12O.C8H11NO2.C8H11NO.2C8H10O.C7H6Cl2O.2C7H6Cl2.2C7H7Cl.C7H6F2.C7H7F.C7H9NO2S.C7H15N.C7H8O2.3C7H8O.C7H8.C6H8N2O2S.C6H8N2.C6H7NO2.C6H7NO.C6H7N.C6H13N.C6H8O.C5H11NO.C5H11N.C5H6S/c1-8-5-6-11-7-9(8)10(2,3)4;1-7-4-8(10-2)6-9(5-7)11-3;1-3-10-9-6-4-8(2)5-7-9;1-6-4-7(10-2)9-8(5-6)11-3;1-3-10-8-5-4-7(2)9-6-8;1-7-3-5-8(9-2)6-4-7;1-7-4-2-3-5-8(7)6-9;1-4-2-3-5(8)7(10)6(4)9;1-5-2-3-6(8)4-7(5)9;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-4-7(5-8-6)11(2,9)10;1-7-3-5-8(2)6-4-7;1-5-2-6(8)4-7(9)3-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;1-5-2-3-8-6(4-5)11(7,9)10;1-5-2-3-8-6(7)4-5;1-4-2-5(8)7-6(9)3-4;1-5-2-3-7-6(8)4-5;1-6-2-4-7-5-3-6;1-7-5-3-2-4-6-7;1-5-3-4-7-6(5)2;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5-3-2-4-6-5/h5-7H,1-4H3;4-6H,1-3H3;4-7H,3H2,1-2H3;4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;2-5,9H,6H2,1H3;2-3,10H,1H3;2*2-4H,1H3;2*2-5H,1H3;2-4H,1H3;2-5H,1H3;3-5H,1-2H3;7H,3-6H2,1-2H3;2-4,8-9H,1H3;3*2-5,8H,1H3;2-6H,1H3;2-4H,1H3,(H2,7,9,10);2-4H,1H3,(H2,7,8);2-3H,1H3,(H2,7,8,9);2-4H,1H3,(H,7,8);2-5H,1H3;2-6H2,1H3;3-4H,1-2H3;2-5H2,1H3;2-5H2,1H3;2-4H,1H3
InChIKeyLUJDRGSYDVKMMR-UHFFFAOYSA-N
XLogP52.93
TPSA538.05 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds12
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003875.47
LogP ≤ 552.93
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze 3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine
CID 159541772
4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine
CID 157297381
4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;bis(2,4-dimethylpyrimidine);4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine
CID 158929574
1-chloro-2-fluoro-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethyl-1H-indene;2-ethoxy-4-methylphenol;3-methylphenol;3-methylpyridine;2-methylthiophene;3-methylthiophene
CID 157052230
1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;ethanimidamide;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;N-methylpropan-2-imine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;1-piperidin-1-ylethanimine;bis(propan-2-imine);1-pyrrolidin-1-ylethanimine;N,N,2-trimethylbenzenecarboximidamide
CID 161123836
1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;(2,3-dimethoxy-5-methylphenyl)methanol;1-ethoxy-4-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(3-methoxy-5-methylphenyl)methanol;(4-methoxy-3-methylphenyl)methanol;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2,4-trimethylbenzene);1,2-xylene;1,4-xylene
CID 161022248
1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 162058468
but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2-ethyl-5-methylthiophene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;5-fluoro-2-methylphenol;1-methoxy-3-methylbenzene;3-methylaniline;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 162248894
tert-butylbenzene;2-tert-butylbenzonitrile;3-tert-butylbenzonitrile;4-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;2-tert-butyl-3-chloropyridine;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;1-tert-butyl-3-nitrobenzene;4-tert-butyloxane;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;ethane;2-methylpropane;propane
CID 159072343
4-tert-butyl-2-chloro-1-oxidopyridin-1-ium;4-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole
CID 162201402
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 159490356
1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine
CID 158828307

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene?
The IUPAC name of 3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene (CID 159459189) is 3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene.
What is the SMILES notation for 3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene?
The canonical SMILES for 3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene is CC1CCN(C)CC1.CCOc1ccc(C)cc1.CCOc1ccc(C)nc1.CN1CCCC1.CN1CCCCC1.CN1CCOCC1.COc1cc(C)cc(OC)c1.COc1cc(C)cc(OC)n1.COc1ccc(C)cc1.Cc1cc(O)[nH]c(=O)c1.Cc1cc(O)cc(O)c1.Cc1cc[nH]c(=O)c1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)c(O)c1Cl.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1Cl.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1ccc(O)cc1.Cc1ccc(S(C)(=O)=O)cn1.Cc1cccc(Cl)c1.Cc1cccc(O)c1.Cc1ccccc1.Cc1ccccc1CO.Cc1ccccc1O.Cc1cccs1.Cc1ccnc(N)c1.Cc1ccnc(S(N)(=O)=O)c1.Cc1ccncc1.Cc1ccncc1C(C)(C)C.Cc1ccoc1C.
What is the InChIKey of 3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene?
The InChIKey is LUJDRGSYDVKMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H12O2.C9H12O.C8H11NO2.C8H11NO.2C8H10O.C7H6Cl2O.2C7H6Cl2.2C7H7Cl.C7H6F2.C7H7F.C7H9NO2S.C7H15N.C7H8O2.3C7H8O.C7H8.C6H8N2O2S.C6H8N2.C6H7NO2.C6H7NO.C6H7N.C6H13N.C6H8O.C5H11NO.C5H11N.C5H6S/c1-8-5-6-11-7-9(8)10(2,3)4;1-7-4-8(10-2)6-9(5-7)11-3;1-3-10-9-6-4-8(2)5-7-9;1-6-4-7(10-2)9-8(5-6)11-3;1-3-10-8-5-4-7(2)9-6-8;1-7-3-5-8(9-2)6-4-7;1-7-4-2-3-5-8(7)6-9;1-4-2-3-5(8)7(10)6(4)9;1-5-2-3-6(8)4-7(5)9;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-4-7(5-8-6)11(2,9)10;1-7-3-5-8(2)6-4-7;1-5-2-6(8)4-7(9)3-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;1-5-2-3-8-6(4-5)11(7,9)10;1-5-2-3-8-6(7)4-5;1-4-2-5(8)7-6(9)3-4;1-5-2-3-7-6(8)4-5;1-6-2-4-7-5-3-6;1-7-5-3-2-4-6-7;1-5-3-4-7-6(5)2;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5-3-2-4-6-5/h5-7H,1-4H3;4-6H,1-3H3;4-7H,3H2,1-2H3;4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;2-5,9H,6H2,1H3;2-3,10H,1H3;2*2-4H,1H3;2*2-5H,1H3;2-4H,1H3;2-5H,1H3;3-5H,1-2H3;7H,3-6H2,1-2H3;2-4,8-9H,1H3;3*2-5,8H,1H3;2-6H,1H3;2-4H,1H3,(H2,7,9,10);2-4H,1H3,(H2,7,8);2-3H,1H3,(H2,7,8,9);2-4H,1H3,(H,7,8);2-5H,1H3;2-6H2,1H3;3-4H,1-2H3;2-5H2,1H3;2-5H2,1H3;2-4H,1H3.
What are the key properties of 3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene?
3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene has a molecular weight of 3875.47 g/mol, XLogP of 52.93, 12 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene is sourced from PubChem (CID 159459189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).