1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine

C203H279Cl6F9N4O3 — CID 160910143

About 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine

1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine (PubChem CID 160910143) has the molecular formula C203H279Cl6F9N4O3 and a molecular weight of 3207.19 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine.

Molecular Properties

• Compound Name: 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine
• PubChem CID: 160910143
• Molecular Formula: C203H279Cl6F9N4O3
• Molecular Weight: 3207.19 g/mol
• Exact Mass: 3201.98
• IUPAC Name: 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine
• SMILES: CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1C1CC1.COc1cc(C)ccc1C(C)C.COc1cc(C)ccc1C(C)C.COc1cc(C)ccc1C(C)C.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(N(C)C)n1.Cc1cnc(C(C)C)c(Cl)c1
• InChI: InChI=1S/C13H20.C12H16.2C11H13F3.C11H18N2.3C11H16O.3C11H16.5C10H13Cl.C10H11F3.C10H15N.C9H12ClN/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)11-5-3-4-6-12(11)10-7-8-10;2*1-7(2)9-5-4-8(3)6-10(9)11(12,13)14;1-8(2)10-7-6-9(3)12-11(10)13(4)5;3*1-8(2)10-6-5-9(3)7-11(10)12-4;3*1-8(2)11-6-5-9(3)7-10(11)4;5*1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)10-6-5-8(3)11-9(10)4;1-6(2)9-8(10)4-7(3)5-11-9/h6-10H,1-5H3;3-6,9-10H,7-8H2,1-2H3;2*4-7H,1-3H3;6-8H,1-5H3;3*5-8H,1-4H3;3*5-8H,1-4H3;5*4-7H,1-3H3;3-7H,1-2H3;5-7H,1-4H3;4-6H,1-3H3
• InChIKey: SQRADMIURPMBBF-UHFFFAOYSA-N
• XLogP: 66.99
• TPSA: 69.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 24
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3207.19
LogP ≤ 5	66.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine?

The IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine (CID 160910143) is 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine.

What is the SMILES notation for 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine?

The canonical SMILES for 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine is CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1C1CC1.COc1cc(C)ccc1C(C)C.COc1cc(C)ccc1C(C)C.COc1cc(C)ccc1C(C)C.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(N(C)C)n1.Cc1cnc(C(C)C)c(Cl)c1.

What is the InChIKey of 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine?

The InChIKey is SQRADMIURPMBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C12H16.2C11H13F3.C11H18N2.3C11H16O.3C11H16.5C10H13Cl.C10H11F3.C10H15N.C9H12ClN/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)11-5-3-4-6-12(11)10-7-8-10;2*1-7(2)9-5-4-8(3)6-10(9)11(12,13)14;1-8(2)10-7-6-9(3)12-11(10)13(4)5;3*1-8(2)10-6-5-9(3)7-11(10)12-4;3*1-8(2)11-6-5-9(3)7-10(11)4;5*1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)10-6-5-8(3)11-9(10)4;1-6(2)9-8(10)4-7(3)5-11-9/h6-10H,1-5H3;3-6,9-10H,7-8H2,1-2H3;2*4-7H,1-3H3;6-8H,1-5H3;3*5-8H,1-4H3;3*5-8H,1-4H3;5*4-7H,1-3H3;3-7H,1-2H3;5-7H,1-4H3;4-6H,1-3H3.

What are the key properties of 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine?

1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine has a molecular weight of 3207.19 g/mol, XLogP of 66.99, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tris(2,4-dimethyl-1-propan-2-ylbenzene);2,6-dimethyl-3-propan-2-ylpyridine;tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 160910143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).