1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone

C195H288FN5O8S — CID 158107350

About 1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone

1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone (PubChem CID 158107350) has the molecular formula C195H288FN5O8S and a molecular weight of 2881.54 g/mol. Its IUPAC name is 1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone.

Molecular Properties

• Compound Name: 1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone
• PubChem CID: 158107350
• Molecular Formula: C195H288FN5O8S
• Molecular Weight: 2881.54 g/mol
• Exact Mass: 2879.20
• IUPAC Name: 1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone
• SMILES: C.C=C(N)c1cccc(C(C)(C)C)c1.C=C(NC)c1cccc(C(C)(C)C)c1.C=S(C)(=O)c1ccc(C(C)(C)C)cc1.CC(=O)c1ccc(C(C)(C)C)cc1.CC(=O)c1ccccc1C(C)C.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1cccc(CO)c1.CC(C)c1ccccc1C(C)(C)C.CCc1cc(N(C)C)ccc1C(C)(C)C.CCc1cc(OC)ccc1C(C)(C)C.CCc1ccccc1C(C)(C)C.CNC(=O)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C.Cc1cc(C(C)(C)C)ccc1F.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
• InChI: InChI=1S/C14H21NO.C14H23N.C13H19N.C13H20O.C13H20.C12H17NO.C12H17N.C12H18OS.C12H18O.C12H16O.C12H18.C11H15F.C11H16O.C11H14O.2C11H16.CH4/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-7-11-10-12(15(5)6)8-9-13(11)14(2,3)4;1-10(14-5)11-7-6-8-12(9-11)13(2,3)4;1-6-10-9-11(14-5)7-8-12(10)13(2,3)4;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-12(2,3)10-6-8-11(9-7-10)14(4,5)13;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-5-10-8-6-7-9-11(10)12(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)10-6-4-5-9(7-10)8-12;1-8(2)10-6-4-5-7-11(10)9(3)12;2*1-9-7-5-6-8-10(9)11(2,3)4;/h4-7H,8-11H2,1-3H3;8-10H,7H2,1-6H3;6-9,14H,1H2,2-5H3;7-9H,6H2,1-5H3;6-10H,1-5H3;5-8H,1-4H3,(H,13,14);5-8H,1,13H2,2-4H3;6-9H,4H2,1-3,5H3;6-8H,1-5H3;5-8H,1-4H3;6-9H,5H2,1-4H3;5-7H,1-4H3;4-7,12H,8H2,1-3H3;4-8H,1-3H3;2*5-8H,1-4H3;1H4
• InChIKey: FPZSPJIMDOVUFZ-UHFFFAOYSA-N
• XLogP: 51.39
• TPSA: 172.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2881.54
LogP ≤ 5	51.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone?

The IUPAC name of 1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone (CID 158107350) is 1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone.

What is the SMILES notation for 1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone?

The canonical SMILES for 1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone is C.C=C(N)c1cccc(C(C)(C)C)c1.C=C(NC)c1cccc(C(C)(C)C)c1.C=S(C)(=O)c1ccc(C(C)(C)C)cc1.CC(=O)c1ccc(C(C)(C)C)cc1.CC(=O)c1ccccc1C(C)C.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1cccc(CO)c1.CC(C)c1ccccc1C(C)(C)C.CCc1cc(N(C)C)ccc1C(C)(C)C.CCc1cc(OC)ccc1C(C)(C)C.CCc1ccccc1C(C)(C)C.CNC(=O)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C.Cc1cc(C(C)(C)C)ccc1F.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.

What is the InChIKey of 1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone?

The InChIKey is FPZSPJIMDOVUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C14H23N.C13H19N.C13H20O.C13H20.C12H17NO.C12H17N.C12H18OS.C12H18O.C12H16O.C12H18.C11H15F.C11H16O.C11H14O.2C11H16.CH4/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-7-11-10-12(15(5)6)8-9-13(11)14(2,3)4;1-10(14-5)11-7-6-8-12(9-11)13(2,3)4;1-6-10-9-11(14-5)7-8-12(10)13(2,3)4;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-12(2,3)10-6-8-11(9-7-10)14(4,5)13;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-5-10-8-6-7-9-11(10)12(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)10-6-4-5-9(7-10)8-12;1-8(2)10-6-4-5-7-11(10)9(3)12;2*1-9-7-5-6-8-10(9)11(2,3)4;/h4-7H,8-11H2,1-3H3;8-10H,7H2,1-6H3;6-9,14H,1H2,2-5H3;7-9H,6H2,1-5H3;6-10H,1-5H3;5-8H,1-4H3,(H,13,14);5-8H,1,13H2,2-4H3;6-9H,4H2,1-3,5H3;6-8H,1-5H3;5-8H,1-4H3;6-9H,5H2,1-4H3;5-7H,1-4H3;4-7,12H,8H2,1-3H3;4-8H,1-3H3;2*5-8H,1-4H3;1H4.

What are the key properties of 1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone?

1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone has a molecular weight of 2881.54 g/mol, XLogP of 51.39, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-λ6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 158107350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).