4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane

C245H365Cl2F2N7O11S2 — CID 158614198

IUPAC4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane
SMILESC.C.C=S(=O)(c1ccc(C(C)(C)C)cc1)N1CCCCC1.CC(=O)Nc1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(CN)c1.CC(C)(C)c1ccccc1CS(C)(=O)=O.CC(C)Cc1ccc(C(C)(C)C)cc1.CC(C)Oc1cccc(C(C)(C)C)c1.CCC(=O)c1ccccc1C(C)(C)C.CCN(CC)c1ccc(C(C)(C)C)cc1.CN(C)Cc1ccc(C(C)(C)C)cc1.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1Cl.COc1ccc(C)cc1C(C)(C)C.COc1cccc(F)c1C(C)(C)C.Cc1cc(Cl)ccc1C(C)(C)C.Cc1ccc(F)cc1C(C)(C)C.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1C
InChIInChI=1S/C16H25NOS.C14H23N.C14H22.C13H21N.C13H20O.C13H18O.C12H17NO.C12H19N.C12H18O2S.C12H16O.C12H18O.C12H18.C11H15ClO.C11H15Cl.C11H15FO.C11H15F.C11H13N.C11H17N.C11H16O.C11H16.2CH4/c1-16(2,3)14-8-10-15(11-9-14)19(4,18)17-12-6-5-7-13-17;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-11(2)10-12-6-8-13(9-7-12)14(3,4)5;1-13(2,3)12-8-6-11(7-9-12)10-14(4)5;1-10(2)14-12-8-6-7-11(9-12)13(3,4)5;1-5-12(14)10-8-6-7-9-11(10)13(2,3)4;1-9(14)13-11-7-5-6-10(8-11)12(2,3)4;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)11-8-6-5-7-10(11)9-15(4,13)14;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9-6-7-11(13-5)10(8-9)12(2,3)4;1-9-7-6-8-11(10(9)2)12(3,4)5;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-8-7-9(12)5-6-10(8)11(2,3)4;1-11(2,3)10-8(12)6-5-7-9(10)13-4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-11(2,3)10-6-4-9(8-12)5-7-10;1-11(2,3)10-6-4-5-9(7-10)8-12;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-6-5-7-10(8-9)11(2,3)4;;/h8-11H,4-7,12-13H2,1-3H3;8-11H,6-7H2,1-5H3;6-9,11H,10H2,1-5H3;6-9H,10H2,1-5H3;6-10H,1-5H3;6-9H,5H2,1-4H3;5-8H,1-4H3,(H,13,14);6-9H,1-5H3;5-8H,9H2,1-4H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;6-8H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;4-7H,8,12H2,1-3H3;5-8H,1-4H3;5-8H,1-4H3;2*1H4
InChIKeyHXERQHWUDBDMBZ-UHFFFAOYSA-N
MW3757.69 g/mol
LogP67.22
Rot. Bonds22

About 4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane

4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane (PubChem CID 158614198) has the molecular formula C245H365Cl2F2N7O11S2 and a molecular weight of 3757.69 g/mol. Its IUPAC name is 4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane.

Molecular Properties

Compound Name4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane
PubChem CID158614198
Molecular FormulaC245H365Cl2F2N7O11S2
Molecular Weight3757.69 g/mol
Exact Mass3753.70
IUPAC Name4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane
SMILESC.C.C=S(=O)(c1ccc(C(C)(C)C)cc1)N1CCCCC1.CC(=O)Nc1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(CN)c1.CC(C)(C)c1ccccc1CS(C)(=O)=O.CC(C)Cc1ccc(C(C)(C)C)cc1.CC(C)Oc1cccc(C(C)(C)C)c1.CCC(=O)c1ccccc1C(C)(C)C.CCN(CC)c1ccc(C(C)(C)C)cc1.CN(C)Cc1ccc(C(C)(C)C)cc1.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1Cl.COc1ccc(C)cc1C(C)(C)C.COc1cccc(F)c1C(C)(C)C.Cc1cc(Cl)ccc1C(C)(C)C.Cc1ccc(F)cc1C(C)(C)C.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1C
InChIInChI=1S/C16H25NOS.C14H23N.C14H22.C13H21N.C13H20O.C13H18O.C12H17NO.C12H19N.C12H18O2S.C12H16O.C12H18O.C12H18.C11H15ClO.C11H15Cl.C11H15FO.C11H15F.C11H13N.C11H17N.C11H16O.C11H16.2CH4/c1-16(2,3)14-8-10-15(11-9-14)19(4,18)17-12-6-5-7-13-17;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-11(2)10-12-6-8-13(9-7-12)14(3,4)5;1-13(2,3)12-8-6-11(7-9-12)10-14(4)5;1-10(2)14-12-8-6-7-11(9-12)13(3,4)5;1-5-12(14)10-8-6-7-9-11(10)13(2,3)4;1-9(14)13-11-7-5-6-10(8-11)12(2,3)4;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)11-8-6-5-7-10(11)9-15(4,13)14;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9-6-7-11(13-5)10(8-9)12(2,3)4;1-9-7-6-8-11(10(9)2)12(3,4)5;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-8-7-9(12)5-6-10(8)11(2,3)4;1-11(2,3)10-8(12)6-5-7-9(10)13-4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-11(2,3)10-6-4-9(8-12)5-7-10;1-11(2,3)10-6-4-5-9(7-10)8-12;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-6-5-7-10(8-9)11(2,3)4;;/h8-11H,4-7,12-13H2,1-3H3;8-11H,6-7H2,1-5H3;6-9,11H,10H2,1-5H3;6-9H,10H2,1-5H3;6-10H,1-5H3;6-9H,5H2,1-4H3;5-8H,1-4H3,(H,13,14);6-9H,1-5H3;5-8H,9H2,1-4H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;6-8H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;4-7H,8,12H2,1-3H3;5-8H,1-4H3;5-8H,1-4H3;2*1H4
InChIKeyHXERQHWUDBDMBZ-UHFFFAOYSA-N
XLogP67.22
TPSA215.53 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms269
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003757.69
LogP ≤ 567.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane with MolForge

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Related Compounds

4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;tert-butyl N-[(4-tert-butylphenyl)methyl]carbamate;1-tert-butyl-2,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;4-tert-butyl-N-[2-(dimethylamino)ethyl]benzamide;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2-ethoxybenzene;1-tert-butyl-4-ethoxybenzene;2-tert-butyl-1-ethyl-4-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-propan-2-yloxybenzene;2-tert-butyl-1,3,5-trimethylbenzene;N,4-ditert-butylbenzenesulfonamide
CID 158438933
1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
CID 163488228
1-bromo-2,4-dimethylbenzene;4-chloro-1-methoxy-2-methylbenzene;1-chloro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-1-methyl-4-nitrobenzene;4-methylaniline;5-methyl-1,3-benzodioxole;3-methylbenzonitrile;5-methyl-2,3-dihydro-1H-indene;1-methyl-2-methylsulfanylbenzene;1-methyl-3-methylsulfanylbenzene;1-methylnaphthalene;1-methyl-4-phenoxybenzene;1-(3-methylphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);1-methyl-4-propan-2-ylbenzene;1-phenylethanone;N,N,4-trimethylaniline;1,2,3-trimethylbenzene
CID 158517940
3-tert-butylbenzoic acid;5-tert-butyl-1,3-benzothiazol-2-amine;1-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-methylurea;1-tert-butyl-3-chlorobenzene;2-tert-butyl-N,N-diethylpyridin-4-amine;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-3-methoxybenzene;(2-tert-butylphenyl)methanamine;(4-tert-butylphenyl)methanamine
CID 161497079
2-tert-butylaniline;2-tert-butylbenzoic acid;3-tert-butylbenzoic acid;2-tert-butyl-3-chlorobenzoic acid;2-tert-butyl-1-chloro-3-fluorobenzene;2-tert-butyl-1,4-difluorobenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-ethoxybenzene;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylbenzoic acid;N-(2-tert-butyl-3-methylphenyl)-N-methylmethanesulfonamide;1-tert-butyl-2-nitrobenzene;N-(2-tert-butylphenyl)acetamide;2-(2-tert-butylphenyl)acetic acid;2-(2-tert-butylphenyl)-1,3-oxazole;1-tert-butyl-2-propan-2-yloxybenzene;1-tert-butyl-2-(trifluoromethoxy)benzene;ethyl 2-tert-butyl-3-fluorobenzoate
CID 159621429
1-(4-azidophenyl)propan-1-one;1-bromo-3-ethylbenzene;1-(3-bromophenyl)propan-1-one;1-tert-butyl-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;1-(3,4-dichlorophenyl)propan-1-one;1-[4-(diethylamino)phenyl]propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one;1-(2,5-dimethoxyphenyl)propan-1-one;2,2-dimethylpentan-3-one;1-(2,4-dimethylphenyl)propan-1-one;ethylbenzene;2-ethyl-1-methoxy-4-nitrobenzene;1-ethyl-4-methylbenzene;1-naphthalen-2-ylpropan-1-one;1-(3-nitrophenyl)propan-1-one;1-phenylpropan-1-one;1-[2-(trifluoromethyl)phenyl]butan-2-one
CID 159121571
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
tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclobutanamine;N-propan-2-ylcyclopentanamine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane
CID 158354675
4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine
CID 160730119
3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,3-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;3-tert-butyl-N-methyl-N-prop-1-en-2-ylaniline;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanone;N-(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;2-(3-tert-butylphenyl)-1,3-oxazole;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-prop-1-en-2-ylbenzene;methane
CID 158903249
tert-butylbenzene;1-tert-butyl-4-isocyanobenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;methyl 4-tert-butylbenzoate;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzamide;4-propan-2-ylbenzoic acid;(4-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)propan-1-one
CID 159399983
N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane
CID 157367586

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane?
The IUPAC name of 4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane (CID 158614198) is 4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane.
What is the SMILES notation for 4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane?
The canonical SMILES for 4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane is C.C.C=S(=O)(c1ccc(C(C)(C)C)cc1)N1CCCCC1.CC(=O)Nc1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(CN)c1.CC(C)(C)c1ccccc1CS(C)(=O)=O.CC(C)Cc1ccc(C(C)(C)C)cc1.CC(C)Oc1cccc(C(C)(C)C)c1.CCC(=O)c1ccccc1C(C)(C)C.CCN(CC)c1ccc(C(C)(C)C)cc1.CN(C)Cc1ccc(C(C)(C)C)cc1.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1Cl.COc1ccc(C)cc1C(C)(C)C.COc1cccc(F)c1C(C)(C)C.Cc1cc(Cl)ccc1C(C)(C)C.Cc1ccc(F)cc1C(C)(C)C.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1C.
What is the InChIKey of 4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane?
The InChIKey is HXERQHWUDBDMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS.C14H23N.C14H22.C13H21N.C13H20O.C13H18O.C12H17NO.C12H19N.C12H18O2S.C12H16O.C12H18O.C12H18.C11H15ClO.C11H15Cl.C11H15FO.C11H15F.C11H13N.C11H17N.C11H16O.C11H16.2CH4/c1-16(2,3)14-8-10-15(11-9-14)19(4,18)17-12-6-5-7-13-17;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-11(2)10-12-6-8-13(9-7-12)14(3,4)5;1-13(2,3)12-8-6-11(7-9-12)10-14(4)5;1-10(2)14-12-8-6-7-11(9-12)13(3,4)5;1-5-12(14)10-8-6-7-9-11(10)13(2,3)4;1-9(14)13-11-7-5-6-10(8-11)12(2,3)4;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)11-8-6-5-7-10(11)9-15(4,13)14;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9-6-7-11(13-5)10(8-9)12(2,3)4;1-9-7-6-8-11(10(9)2)12(3,4)5;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-8-7-9(12)5-6-10(8)11(2,3)4;1-11(2,3)10-8(12)6-5-7-9(10)13-4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-11(2,3)10-6-4-9(8-12)5-7-10;1-11(2,3)10-6-4-5-9(7-10)8-12;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-6-5-7-10(8-9)11(2,3)4;;/h8-11H,4-7,12-13H2,1-3H3;8-11H,6-7H2,1-5H3;6-9,11H,10H2,1-5H3;6-9H,10H2,1-5H3;6-10H,1-5H3;6-9H,5H2,1-4H3;5-8H,1-4H3,(H,13,14);6-9H,1-5H3;5-8H,9H2,1-4H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;6-8H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;4-7H,8,12H2,1-3H3;5-8H,1-4H3;5-8H,1-4H3;2*1H4.
What are the key properties of 4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane?
4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane has a molecular weight of 3757.69 g/mol, XLogP of 67.22, 22 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane is sourced from PubChem (CID 158614198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).