1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole

C207H304ClF8N15O12 — CID 157490536

IUPAC1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
SMILESC.C.CC(C)CCn1cc(C(C)C)cn1.CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(F)cc(C(C)C)c1.CC(C)Cn1cc(C(C)C)cn1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)NC(=O)c1ccc(C(C)C)cc1F.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1cc(O)cc(F)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1cccc(C(=O)NCCC#N)c1.CC(C)c1cccc2nn(C)cc12.CC(C)c1ccccc1C(C)(C)C.CCCn1cc(C(C)C)cn1.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.CNC(=O)c1cc(F)cc(C(C)C)c1.COc1cc(OC)cc(C(C)C)c1
InChIInChI=1S/C14H21N.C13H19ClO.C13H18FNO.C13H19FO.C13H16N2O.C13H20.C12H17NO.C11H14FNO.2C11H15FO.C11H14N2.C11H20N2.C11H17NO.C11H16O2.C10H18N2.C9H10F2.C9H11FO.C9H16N2.2CH4/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;1-8(2)10-5-6-11(12(14)7-10)13(16)15-9(3)4;1-9(2)8-15-13-6-11(10(3)4)5-12(14)7-13;1-10(2)11-5-3-6-12(9-11)13(16)15-8-4-7-14;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;1-4-13-11-6-9(8(2)3)5-10(12)7-11;1-4-13-9-5-6-11(12)10(7-9)8(2)3;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-9(2)5-6-13-8-11(7-12-13)10(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)9-5-10(12-3)7-11(6-9)13-4;1-8(2)6-12-7-10(5-11-12)9(3)4;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-3-8(10)5-9(11)4-7;1-4-5-11-7-9(6-10-11)8(2)3;;/h3-5,7-8,12,14H,6,9-11H2,1-2H3;5-7,9-10H,8H2,1-4H3;5-9H,1-4H3,(H,15,16);5-7,9-10H,8H2,1-4H3;3,5-6,9-10H,4,8H2,1-2H3,(H,15,16);6-10H,1-5H3;5-9H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;7-10H,5-6H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5,7-9H,6H2,1-4H3;3-6H,1-2H3;3-6,11H,1-2H3;6-8H,4-5H2,1-3H3;2*1H4
InChIKeyBXFIQHOERVESSX-UHFFFAOYSA-N
MW3382.24 g/mol
LogP56.58
Rot. Bonds47

About 1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole

1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole (PubChem CID 157490536) has the molecular formula C207H304ClF8N15O12 and a molecular weight of 3382.24 g/mol. Its IUPAC name is 1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole.

Molecular Properties

Compound Name1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
PubChem CID157490536
Molecular FormulaC207H304ClF8N15O12
Molecular Weight3382.24 g/mol
Exact Mass3379.32
IUPAC Name1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
SMILESC.C.CC(C)CCn1cc(C(C)C)cn1.CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(F)cc(C(C)C)c1.CC(C)Cn1cc(C(C)C)cn1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)NC(=O)c1ccc(C(C)C)cc1F.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1cc(O)cc(F)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1cccc(C(=O)NCCC#N)c1.CC(C)c1cccc2nn(C)cc12.CC(C)c1ccccc1C(C)(C)C.CCCn1cc(C(C)C)cn1.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.CNC(=O)c1cc(F)cc(C(C)C)c1.COc1cc(OC)cc(C(C)C)c1
InChIInChI=1S/C14H21N.C13H19ClO.C13H18FNO.C13H19FO.C13H16N2O.C13H20.C12H17NO.C11H14FNO.2C11H15FO.C11H14N2.C11H20N2.C11H17NO.C11H16O2.C10H18N2.C9H10F2.C9H11FO.C9H16N2.2CH4/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;1-8(2)10-5-6-11(12(14)7-10)13(16)15-9(3)4;1-9(2)8-15-13-6-11(10(3)4)5-12(14)7-13;1-10(2)11-5-3-6-12(9-11)13(16)15-8-4-7-14;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;1-4-13-11-6-9(8(2)3)5-10(12)7-11;1-4-13-9-5-6-11(12)10(7-9)8(2)3;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-9(2)5-6-13-8-11(7-12-13)10(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)9-5-10(12-3)7-11(6-9)13-4;1-8(2)6-12-7-10(5-11-12)9(3)4;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-3-8(10)5-9(11)4-7;1-4-5-11-7-9(6-10-11)8(2)3;;/h3-5,7-8,12,14H,6,9-11H2,1-2H3;5-7,9-10H,8H2,1-4H3;5-9H,1-4H3,(H,15,16);5-7,9-10H,8H2,1-4H3;3,5-6,9-10H,4,8H2,1-2H3,(H,15,16);6-10H,1-5H3;5-9H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;7-10H,5-6H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5,7-9H,6H2,1-4H3;3-6H,1-2H3;3-6,11H,1-2H3;6-8H,4-5H2,1-3H3;2*1H4
InChIKeyBXFIQHOERVESSX-UHFFFAOYSA-N
XLogP56.58
TPSA303.65 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds47
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003382.24
LogP ≤ 556.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161619890
1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161960804
1-tert-butyl-2-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-methyl-5-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole
CID 157056010
4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
CID 157202924
1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
CID 157241318
1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
CID 157463112
1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
CID 157565905
4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
CID 157720970
1-tert-butyl-2-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-(2-methylpropyl)-5-propan-2-ylpyridine;3-phenyl-1-propan-2-ylpiperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole
CID 157770079
1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
CID 157777694
1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine
CID 157885766
1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine
CID 158107385

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?
The IUPAC name of 1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole (CID 157490536) is 1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole.
What is the SMILES notation for 1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?
The canonical SMILES for 1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole is C.C.CC(C)CCn1cc(C(C)C)cn1.CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(F)cc(C(C)C)c1.CC(C)Cn1cc(C(C)C)cn1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)NC(=O)c1ccc(C(C)C)cc1F.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1cc(O)cc(F)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1cccc(C(=O)NCCC#N)c1.CC(C)c1cccc2nn(C)cc12.CC(C)c1ccccc1C(C)(C)C.CCCn1cc(C(C)C)cn1.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.CNC(=O)c1cc(F)cc(C(C)C)c1.COc1cc(OC)cc(C(C)C)c1.
What is the InChIKey of 1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?
The InChIKey is BXFIQHOERVESSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C13H19ClO.C13H18FNO.C13H19FO.C13H16N2O.C13H20.C12H17NO.C11H14FNO.2C11H15FO.C11H14N2.C11H20N2.C11H17NO.C11H16O2.C10H18N2.C9H10F2.C9H11FO.C9H16N2.2CH4/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;1-8(2)10-5-6-11(12(14)7-10)13(16)15-9(3)4;1-9(2)8-15-13-6-11(10(3)4)5-12(14)7-13;1-10(2)11-5-3-6-12(9-11)13(16)15-8-4-7-14;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;1-4-13-11-6-9(8(2)3)5-10(12)7-11;1-4-13-9-5-6-11(12)10(7-9)8(2)3;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-9(2)5-6-13-8-11(7-12-13)10(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)9-5-10(12-3)7-11(6-9)13-4;1-8(2)6-12-7-10(5-11-12)9(3)4;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-3-8(10)5-9(11)4-7;1-4-5-11-7-9(6-10-11)8(2)3;;/h3-5,7-8,12,14H,6,9-11H2,1-2H3;5-7,9-10H,8H2,1-4H3;5-9H,1-4H3,(H,15,16);5-7,9-10H,8H2,1-4H3;3,5-6,9-10H,4,8H2,1-2H3,(H,15,16);6-10H,1-5H3;5-9H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;7-10H,5-6H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5,7-9H,6H2,1-4H3;3-6H,1-2H3;3-6,11H,1-2H3;6-8H,4-5H2,1-3H3;2*1H4.
What are the key properties of 1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?
1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole has a molecular weight of 3382.24 g/mol, XLogP of 56.58, 47 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole is sourced from PubChem (CID 157490536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).