1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine

C284H390BrClF4N26O2 — CID 161321615

About 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine

1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 161321615) has the molecular formula C284H390BrClF4N26O2 and a molecular weight of 4391.77 g/mol. Its IUPAC name is 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine
• PubChem CID: 161321615
• Molecular Formula: C284H390BrClF4N26O2
• Molecular Weight: 4391.77 g/mol
• Exact Mass: 4387.00
• IUPAC Name: 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine
• SMILES: CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc[n+]([O-])c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CCc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
• InChI: InChI=1S/C13H14.C11H13N.C11H15N.C11H17N.C10H15N.3C10H14.C9H11Br.C9H11Cl.C9H10F3N.C9H11F.C9H13NO.11C9H13N.C9H12.C8H11NO.2C8H11N.3C7H10N2/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-10-6-5-9(7-11-10)8(2)3;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;2*1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-4-5-9(11-3)10-6-8;11*1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7/h3-10H,1-2H3;3-8,12H,1-2H3;5-9H,3-4H2,1-2H3;5-9H,1-4H3;5-8H,4H2,1-3H3;3*4-8H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;11*4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3*3-6H,1-2H3
• InChIKey: VKFIJMGOKVYSLG-UHFFFAOYSA-N
• XLogP: 82.32
• TPSA: 361.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 318
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4391.77
LogP ≤ 5	82.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The IUPAC name of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 161321615) is 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The canonical SMILES for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc[n+]([O-])c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CCc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.

What is the InChIKey of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The InChIKey is VKFIJMGOKVYSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C11H13N.C11H15N.C11H17N.C10H15N.3C10H14.C9H11Br.C9H11Cl.C9H10F3N.C9H11F.C9H13NO.11C9H13N.C9H12.C8H11NO.2C8H11N.3C7H10N2/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-10-6-5-9(7-11-10)8(2)3;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;2*1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-4-5-9(11-3)10-6-8;11*1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7/h3-10H,1-2H3;3-8,12H,1-2H3;5-9H,3-4H2,1-2H3;5-9H,1-4H3;5-8H,4H2,1-3H3;3*4-8H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;11*4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3*3-6H,1-2H3.

What are the key properties of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine?

1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 4391.77 g/mol, XLogP of 82.32, 35 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 161321615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).