1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine

C155H200F7IN8O2 — CID 159182232

About 1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine

1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 159182232) has the molecular formula C155H200F7IN8O2 and a molecular weight of 2467.25 g/mol. Its IUPAC name is 1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine
• PubChem CID: 159182232
• Molecular Formula: C155H200F7IN8O2
• Molecular Weight: 2467.25 g/mol
• Exact Mass: 2465.47
• IUPAC Name: 1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine
• SMILES: CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1cc(I)ccn1.CC(C)c1ccc(C#N)cn1.CC(C)c1cccc(-c2ccccc2)n1.CC(C)c1cccc(F)n1.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2ccncc12.COc1ccc(C(C)C)c(C)c1.COc1cccc(C(C)C)c1C.Cc1cc(F)ccc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1cccc(C(C)C)c1C.Cc1cccc(F)c1C(C)C.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C
• InChI: InChI=1S/C14H15N.C13H18.C12H13N.2C11H16O.C11H16.3C10H13F.C10H14.C9H10F3N.C9H10N2.C9H13N.C8H10FN.C8H10IN/c1-11(2)13-9-6-10-14(15-13)12-7-4-3-5-8-12;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-8(2)11-6-5-10(12-4)7-9(11)3;1-8(2)10-6-5-7-11(12-4)9(10)3;1-8(2)11-7-5-6-9(3)10(11)4;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)10-8(3)5-4-6-9(10)11;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-8(3)5-4-6-10-9;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-5-7(9)3-4-10-8/h3-11H,1-2H3;5,7,9-10H,3-4,6,8H2,1-2H3;3-9H,1-2H3;2*5-8H,1-4H3;5-8H,1-4H3;3*4-7H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;3-4,6-7H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3
• InChIKey: KNAVFZWSYCLIND-UHFFFAOYSA-N
• XLogP: 46.46
• TPSA: 132.48 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2467.25
LogP ≤ 5	46.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine?

The IUPAC name of 1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine (CID 159182232) is 1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine.

What is the SMILES notation for 1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine?

The canonical SMILES for 1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine is CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1cc(I)ccn1.CC(C)c1ccc(C#N)cn1.CC(C)c1cccc(-c2ccccc2)n1.CC(C)c1cccc(F)n1.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2ccncc12.COc1ccc(C(C)C)c(C)c1.COc1cccc(C(C)C)c1C.Cc1cc(F)ccc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1cccc(C(C)C)c1C.Cc1cccc(F)c1C(C)C.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C.

What is the InChIKey of 1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine?

The InChIKey is KNAVFZWSYCLIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C13H18.C12H13N.2C11H16O.C11H16.3C10H13F.C10H14.C9H10F3N.C9H10N2.C9H13N.C8H10FN.C8H10IN/c1-11(2)13-9-6-10-14(15-13)12-7-4-3-5-8-12;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-8(2)11-6-5-10(12-4)7-9(11)3;1-8(2)10-6-5-7-11(12-4)9(10)3;1-8(2)11-7-5-6-9(3)10(11)4;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)10-8(3)5-4-6-9(10)11;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-8(3)5-4-6-10-9;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-5-7(9)3-4-10-8/h3-11H,1-2H3;5,7,9-10H,3-4,6,8H2,1-2H3;3-9H,1-2H3;2*5-8H,1-4H3;5-8H,1-4H3;3*4-7H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;3-4,6-7H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3.

What are the key properties of 1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine?

1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 2467.25 g/mol, XLogP of 46.46, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 159182232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).