bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine

C193H274Cl2F11N15O2 — CID 159588491

About bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine

bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine (PubChem CID 159588491) has the molecular formula C193H274Cl2F11N15O2 and a molecular weight of 3116.30 g/mol. Its IUPAC name is bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine.

Molecular Properties

• Compound Name: bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine
• PubChem CID: 159588491
• Molecular Formula: C193H274Cl2F11N15O2
• Molecular Weight: 3116.30 g/mol
• Exact Mass: 3113.10
• IUPAC Name: bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine
• SMILES: CC(C)c1ccccc1C(F)(F)F.CCOc1cc(C)ccc1C(C)C.CCOc1ccc(C(C)C)c(C(F)(F)F)c1.CCc1nc(C)ccc1C(C)C.Cc1cc(C)c(C(C)C)cn1.Cc1cc(C2CC2)ccc1C(C)C.Cc1ccc(C(C)C)c(C#N)c1.Cc1ccc(C(C)C)c(C(F)F)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(N(C)C)c1.Cc1ccc(C(C)C)c(N(C)C)c1.Cc1ccc(C(C)C)c(N)n1.Cc1ccc(C(C)C)nc1.Cc1cnc(C(C)C)c(C(F)(F)F)c1.Cc1cnc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(N(C)C)c1.Cc1nc(N(C)C)ccc1C(C)C
• InChI: InChI=1S/C13H18.C12H15F3O.2C12H19N.C12H18O.C11H14F2.2C11H18N2.C11H13N.C11H17N.C11H16.C10H12F3N.C10H11F3.C10H15N.2C9H12ClN.C9H14N2.C9H13N/c1-9(2)13-7-6-12(8-10(13)3)11-4-5-11;1-4-16-9-5-6-10(8(2)3)11(7-9)12(13,14)15;2*1-9(2)11-7-6-10(3)8-12(11)13(4)5;1-5-13-12-8-10(4)6-7-11(12)9(2)3;1-7(2)9-5-4-8(3)6-10(9)11(12)13;1-8(2)11-10(13(4)5)6-9(3)7-12-11;1-8(2)10-6-7-11(13(4)5)12-9(10)3;1-8(2)11-5-4-9(3)6-10(11)7-12;1-5-11-10(8(2)3)7-6-9(4)12-11;1-8(2)11-6-5-9(3)7-10(11)4;1-6(2)9-8(10(11,12)13)4-7(3)5-14-9;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)10-6-11-9(4)5-8(10)3;2*1-6(2)9-8(10)4-7(3)5-11-9;1-6(2)8-5-4-7(3)11-9(8)10;1-7(2)9-5-4-8(3)6-10-9/h6-9,11H,4-5H2,1-3H3;5-8H,4H2,1-3H3;2*6-9H,1-5H3;6-9H,5H2,1-4H3;4-7,11H,1-3H3;2*6-8H,1-5H3;4-6,8H,1-3H3;6-8H,5H2,1-4H3;5-8H,1-4H3;4-6H,1-3H3;3-7H,1-2H3;5-7H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3,(H2,10,11);4-7H,1-3H3
• InChIKey: MJXZSXODEAULEB-UHFFFAOYSA-N
• XLogP: 57.94
• TPSA: 197.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 29
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3116.30
LogP ≤ 5	57.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine?

The IUPAC name of bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine (CID 159588491) is bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine.

What is the SMILES notation for bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine?

The canonical SMILES for bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine is CC(C)c1ccccc1C(F)(F)F.CCOc1cc(C)ccc1C(C)C.CCOc1ccc(C(C)C)c(C(F)(F)F)c1.CCc1nc(C)ccc1C(C)C.Cc1cc(C)c(C(C)C)cn1.Cc1cc(C2CC2)ccc1C(C)C.Cc1ccc(C(C)C)c(C#N)c1.Cc1ccc(C(C)C)c(C(F)F)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(N(C)C)c1.Cc1ccc(C(C)C)c(N(C)C)c1.Cc1ccc(C(C)C)c(N)n1.Cc1ccc(C(C)C)nc1.Cc1cnc(C(C)C)c(C(F)(F)F)c1.Cc1cnc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(N(C)C)c1.Cc1nc(N(C)C)ccc1C(C)C.

What is the InChIKey of bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine?

The InChIKey is MJXZSXODEAULEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C12H15F3O.2C12H19N.C12H18O.C11H14F2.2C11H18N2.C11H13N.C11H17N.C11H16.C10H12F3N.C10H11F3.C10H15N.2C9H12ClN.C9H14N2.C9H13N/c1-9(2)13-7-6-12(8-10(13)3)11-4-5-11;1-4-16-9-5-6-10(8(2)3)11(7-9)12(13,14)15;2*1-9(2)11-7-6-10(3)8-12(11)13(4)5;1-5-13-12-8-10(4)6-7-11(12)9(2)3;1-7(2)9-5-4-8(3)6-10(9)11(12)13;1-8(2)11-10(13(4)5)6-9(3)7-12-11;1-8(2)10-6-7-11(13(4)5)12-9(10)3;1-8(2)11-5-4-9(3)6-10(11)7-12;1-5-11-10(8(2)3)7-6-9(4)12-11;1-8(2)11-6-5-9(3)7-10(11)4;1-6(2)9-8(10(11,12)13)4-7(3)5-14-9;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)10-6-11-9(4)5-8(10)3;2*1-6(2)9-8(10)4-7(3)5-11-9;1-6(2)8-5-4-7(3)11-9(8)10;1-7(2)9-5-4-8(3)6-10-9/h6-9,11H,4-5H2,1-3H3;5-8H,4H2,1-3H3;2*6-9H,1-5H3;6-9H,5H2,1-4H3;4-7,11H,1-3H3;2*6-8H,1-5H3;4-6,8H,1-3H3;6-8H,5H2,1-4H3;5-8H,1-4H3;4-6H,1-3H3;3-7H,1-2H3;5-7H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3,(H2,10,11);4-7H,1-3H3.

What are the key properties of bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine?

bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine has a molecular weight of 3116.30 g/mol, XLogP of 57.94, 29 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 159588491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).