1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine

C130H184ClF5N6O8 — CID 158347041

About 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine

1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine (PubChem CID 158347041) has the molecular formula C130H184ClF5N6O8 and a molecular weight of 2089.38 g/mol. Its IUPAC name is 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine.

Molecular Properties

• Compound Name: 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine
• PubChem CID: 158347041
• Molecular Formula: C130H184ClF5N6O8
• Molecular Weight: 2089.38 g/mol
• Exact Mass: 2087.38
• IUPAC Name: 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine
• SMILES: CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(F)cc(C(C)C)c1.CC(C)COc1ccc(C(C)C)cc1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1cccc2nn(C)cc12.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.CNC(=O)c1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)c(F)c1
• InChI: InChI=1S/C14H21N.C13H19ClO.C13H19FO.C13H20O.C12H17NO.C11H14FNO.2C11H15FO.C11H14N2.C11H17NO.C10H13F/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;1-9(2)8-15-13-6-11(10(3)4)5-12(14)7-13;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;1-4-13-11-6-9(8(2)3)5-10(12)7-11;1-4-13-9-5-6-11(12)10(7-9)8(2)3;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-7(2)9-5-4-8(3)6-10(9)11/h3-5,7-8,12,14H,6,9-11H2,1-2H3;2*5-7,9-10H,8H2,1-4H3;5-8,10-11H,9H2,1-4H3;5-9H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;5-9H,1-4H3;4-7H,1-3H3
• InChIKey: GRWAIKUWHOOVDR-UHFFFAOYSA-N
• XLogP: 36.06
• TPSA: 138.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 29
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2089.38
LogP ≤ 5	36.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?

The IUPAC name of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine (CID 158347041) is 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine.

What is the SMILES notation for 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?

The canonical SMILES for 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine is CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(F)cc(C(C)C)c1.CC(C)COc1ccc(C(C)C)cc1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1cccc2nn(C)cc12.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.CNC(=O)c1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)c(F)c1.

What is the InChIKey of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?

The InChIKey is GRWAIKUWHOOVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C13H19ClO.C13H19FO.C13H20O.C12H17NO.C11H14FNO.2C11H15FO.C11H14N2.C11H17NO.C10H13F/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;1-9(2)8-15-13-6-11(10(3)4)5-12(14)7-13;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;1-4-13-11-6-9(8(2)3)5-10(12)7-11;1-4-13-9-5-6-11(12)10(7-9)8(2)3;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-7(2)9-5-4-8(3)6-10(9)11/h3-5,7-8,12,14H,6,9-11H2,1-2H3;2*5-7,9-10H,8H2,1-4H3;5-8,10-11H,9H2,1-4H3;5-9H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;5-9H,1-4H3;4-7H,1-3H3.

What are the key properties of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?

1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine has a molecular weight of 2089.38 g/mol, XLogP of 36.06, 29 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine is sourced from PubChem (CID 158347041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).