1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane

C197H289F11N10O16S2 — CID 159345811

IUPAC1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane
SMILESC.CC(=O)Nc1cccc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)N2CCOCC2)cc(C(F)(F)F)c1.CC(C)(C)c1cc(F)cc(C(=O)CC2CCCCC2)c1.CC(C)(C)c1cc(NCCN2CCOCC2)cc(C(F)(F)F)c1.CC(C)(C)c1cccc(C(=O)CC2CC2)c1.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(CS(N)(=O)=O)c1.CC(C)(C)c1cccc(N)c1.CC(C)(C)c1cccc(S(=O)(=O)CCCO)c1.CCCCOc1ccc(F)cc1C(C)(C)C.CN(C)CCCC(=O)c1cccc(C(C)(C)C)c1.CN1CCC(N(C)c2c(F)cccc2C(C)(C)C)C1.CN1CCCC1COc1cc(F)cc(C(C)(C)C)c1.COc1c(F)cccc1C(C)(C)C
InChIInChI=1S/C18H25FO.C17H25F3N2O.C16H20F3NO2.C16H25FN2.C16H24FNO.C16H25NO.C15H20O.C14H21FO.C13H20O3S.C12H17NO.C11H15FO.C11H17NO2S.C11H16O.C10H15N.CH4/c1-18(2,3)15-10-14(11-16(19)12-15)17(20)9-13-7-5-4-6-8-13;1-16(2,3)13-10-14(17(18,19)20)12-15(11-13)21-4-5-22-6-8-23-9-7-22;1-15(2,3)12-8-11(9-13(10-12)16(17,18)19)14(21)20-4-6-22-7-5-20;1-16(2,3)13-7-6-8-14(17)15(13)19(5)12-9-10-18(4)11-12;1-16(2,3)12-8-13(17)10-15(9-12)19-11-14-6-5-7-18(14)4;1-16(2,3)14-9-6-8-13(12-14)15(18)10-7-11-17(4)5;1-15(2,3)13-6-4-5-12(10-13)14(16)9-11-7-8-11;1-5-6-9-16-13-8-7-11(15)10-12(13)14(2,3)4;1-13(2,3)11-6-4-7-12(10-11)17(15,16)9-5-8-14;1-9(14)13-11-7-5-6-10(8-11)12(2,3)4;1-11(2,3)8-6-5-7-9(12)10(8)13-4;1-11(2,3)10-6-4-5-9(7-10)8-15(12,13)14;1-11(2,3)10-6-4-5-9(7-10)8-12;1-10(2,3)8-5-4-6-9(11)7-8;/h10-13H,4-9H2,1-3H3;10-12,21H,4-9H2,1-3H3;8-10H,4-7H2,1-3H3;6-8,12H,9-11H2,1-5H3;8-10,14H,5-7,11H2,1-4H3;6,8-9,12H,7,10-11H2,1-5H3;4-6,10-11H,7-9H2,1-3H3;7-8,10H,5-6,9H2,1-4H3;4,6-7,10,14H,5,8-9H2,1-3H3;5-8H,1-4H3,(H,13,14);5-7H,1-4H3;4-7H,8H2,1-3H3,(H2,12,13,14);4-7,12H,8H2,1-3H3;4-7H,11H2,1-3H3;1H4
InChIKeyLGSAKQWMLBFPPM-UHFFFAOYSA-N
MW3326.64 g/mol
LogP46.80
Rot. Bonds34

About 1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane

1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane (PubChem CID 159345811) has the molecular formula C197H289F11N10O16S2 and a molecular weight of 3326.64 g/mol. Its IUPAC name is 1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane.

Molecular Properties

Compound Name1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane
PubChem CID159345811
Molecular FormulaC197H289F11N10O16S2
Molecular Weight3326.64 g/mol
Exact Mass3324.14
IUPAC Name1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane
SMILESC.CC(=O)Nc1cccc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)N2CCOCC2)cc(C(F)(F)F)c1.CC(C)(C)c1cc(F)cc(C(=O)CC2CCCCC2)c1.CC(C)(C)c1cc(NCCN2CCOCC2)cc(C(F)(F)F)c1.CC(C)(C)c1cccc(C(=O)CC2CC2)c1.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(CS(N)(=O)=O)c1.CC(C)(C)c1cccc(N)c1.CC(C)(C)c1cccc(S(=O)(=O)CCCO)c1.CCCCOc1ccc(F)cc1C(C)(C)C.CN(C)CCCC(=O)c1cccc(C(C)(C)C)c1.CN1CCC(N(C)c2c(F)cccc2C(C)(C)C)C1.CN1CCCC1COc1cc(F)cc(C(C)(C)C)c1.COc1c(F)cccc1C(C)(C)C
InChIInChI=1S/C18H25FO.C17H25F3N2O.C16H20F3NO2.C16H25FN2.C16H24FNO.C16H25NO.C15H20O.C14H21FO.C13H20O3S.C12H17NO.C11H15FO.C11H17NO2S.C11H16O.C10H15N.CH4/c1-18(2,3)15-10-14(11-16(19)12-15)17(20)9-13-7-5-4-6-8-13;1-16(2,3)13-10-14(17(18,19)20)12-15(11-13)21-4-5-22-6-8-23-9-7-22;1-15(2,3)12-8-11(9-13(10-12)16(17,18)19)14(21)20-4-6-22-7-5-20;1-16(2,3)13-7-6-8-14(17)15(13)19(5)12-9-10-18(4)11-12;1-16(2,3)12-8-13(17)10-15(9-12)19-11-14-6-5-7-18(14)4;1-16(2,3)14-9-6-8-13(12-14)15(18)10-7-11-17(4)5;1-15(2,3)13-6-4-5-12(10-13)14(16)9-11-7-8-11;1-5-6-9-16-13-8-7-11(15)10-12(13)14(2,3)4;1-13(2,3)11-6-4-7-12(10-11)17(15,16)9-5-8-14;1-9(14)13-11-7-5-6-10(8-11)12(2,3)4;1-11(2,3)8-6-5-7-9(12)10(8)13-4;1-11(2,3)10-6-4-5-9(7-10)8-15(12,13)14;1-11(2,3)10-6-4-5-9(7-10)8-12;1-10(2,3)8-5-4-6-9(11)7-8;/h10-13H,4-9H2,1-3H3;10-12,21H,4-9H2,1-3H3;8-10H,4-7H2,1-3H3;6-8,12H,9-11H2,1-5H3;8-10,14H,5-7,11H2,1-4H3;6,8-9,12H,7,10-11H2,1-5H3;4-6,10-11H,7-9H2,1-3H3;7-8,10H,5-6,9H2,1-4H3;4,6-7,10,14H,5,8-9H2,1-3H3;5-8H,1-4H3,(H,13,14);5-7H,1-4H3;4-7H,8H2,1-3H3,(H2,12,13,14);4-7,12H,8H2,1-3H3;4-7H,11H2,1-3H3;1H4
InChIKeyLGSAKQWMLBFPPM-UHFFFAOYSA-N
XLogP46.80
TPSA335.78 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds34
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003326.64
LogP ≤ 546.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane with MolForge

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Related Compounds

1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 157421155
1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 157503113
1-butoxy-2-tert-butyl-4-fluorobenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 158314232
1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 161084878
1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 161531354
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine
CID 157447527
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine
CID 158045937
2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
CID 158370477
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one
CID 159524604
2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
CID 159695619
bis(3-tert-butylbenzamide);4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)propan-2-one
CID 160002303
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine;methane
CID 161592404

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane?
The IUPAC name of 1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane (CID 159345811) is 1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane.
What is the SMILES notation for 1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane?
The canonical SMILES for 1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane is C.CC(=O)Nc1cccc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)N2CCOCC2)cc(C(F)(F)F)c1.CC(C)(C)c1cc(F)cc(C(=O)CC2CCCCC2)c1.CC(C)(C)c1cc(NCCN2CCOCC2)cc(C(F)(F)F)c1.CC(C)(C)c1cccc(C(=O)CC2CC2)c1.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(CS(N)(=O)=O)c1.CC(C)(C)c1cccc(N)c1.CC(C)(C)c1cccc(S(=O)(=O)CCCO)c1.CCCCOc1ccc(F)cc1C(C)(C)C.CN(C)CCCC(=O)c1cccc(C(C)(C)C)c1.CN1CCC(N(C)c2c(F)cccc2C(C)(C)C)C1.CN1CCCC1COc1cc(F)cc(C(C)(C)C)c1.COc1c(F)cccc1C(C)(C)C.
What is the InChIKey of 1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane?
The InChIKey is LGSAKQWMLBFPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO.C17H25F3N2O.C16H20F3NO2.C16H25FN2.C16H24FNO.C16H25NO.C15H20O.C14H21FO.C13H20O3S.C12H17NO.C11H15FO.C11H17NO2S.C11H16O.C10H15N.CH4/c1-18(2,3)15-10-14(11-16(19)12-15)17(20)9-13-7-5-4-6-8-13;1-16(2,3)13-10-14(17(18,19)20)12-15(11-13)21-4-5-22-6-8-23-9-7-22;1-15(2,3)12-8-11(9-13(10-12)16(17,18)19)14(21)20-4-6-22-7-5-20;1-16(2,3)13-7-6-8-14(17)15(13)19(5)12-9-10-18(4)11-12;1-16(2,3)12-8-13(17)10-15(9-12)19-11-14-6-5-7-18(14)4;1-16(2,3)14-9-6-8-13(12-14)15(18)10-7-11-17(4)5;1-15(2,3)13-6-4-5-12(10-13)14(16)9-11-7-8-11;1-5-6-9-16-13-8-7-11(15)10-12(13)14(2,3)4;1-13(2,3)11-6-4-7-12(10-11)17(15,16)9-5-8-14;1-9(14)13-11-7-5-6-10(8-11)12(2,3)4;1-11(2,3)8-6-5-7-9(12)10(8)13-4;1-11(2,3)10-6-4-5-9(7-10)8-15(12,13)14;1-11(2,3)10-6-4-5-9(7-10)8-12;1-10(2,3)8-5-4-6-9(11)7-8;/h10-13H,4-9H2,1-3H3;10-12,21H,4-9H2,1-3H3;8-10H,4-7H2,1-3H3;6-8,12H,9-11H2,1-5H3;8-10,14H,5-7,11H2,1-4H3;6,8-9,12H,7,10-11H2,1-5H3;4-6,10-11H,7-9H2,1-3H3;7-8,10H,5-6,9H2,1-4H3;4,6-7,10,14H,5,8-9H2,1-3H3;5-8H,1-4H3,(H,13,14);5-7H,1-4H3;4-7H,8H2,1-3H3,(H2,12,13,14);4-7,12H,8H2,1-3H3;4-7H,11H2,1-3H3;1H4.
What are the key properties of 1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane?
1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane has a molecular weight of 3326.64 g/mol, XLogP of 46.80, 34 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane is sourced from PubChem (CID 159345811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).