6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane

C210H309Cl5N22O6S3 — CID 158168201

About 6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane

6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane (PubChem CID 158168201) has the molecular formula C210H309Cl5N22O6S3 and a molecular weight of 3511.40 g/mol. Its IUPAC name is 6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane.

Molecular Properties

• Compound Name: 6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane
• PubChem CID: 158168201
• Molecular Formula: C210H309Cl5N22O6S3
• Molecular Weight: 3511.40 g/mol
• Exact Mass: 3506.22
• IUPAC Name: 6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc2c(Cl)coc2c1.CC(C)(C)c1ccc2c(Cl)csc2c1.CC(C)(C)c1ccc2c(Cl)noc2c1.CC(C)(C)c1ccc2c(N)coc2c1.CC(C)(C)c1ccc2c(N)csc2c1.CC(C)(C)c1ccc2c(N)noc2c1.Cc1[nH]nc2cc(C(C)(C)C)ccc12.Cc1coc2cc(C(C)(C)C)ccc12.Cc1csc2cc(C(C)(C)C)ccc12.Cc1nn(C)c2cc(C(C)(C)C)ccc12.Cc1nn(C)c2cc(C(C)(C)C)ccc12.Cc1noc2cc(C(C)(C)C)ccc12.Cn1nc(Cl)c2ccc(C(C)(C)C)cc21.Cn1nc(Cl)c2ccc(C(C)(C)C)cc21.Cn1nc(N)c2ccc(C(C)(C)C)cc21.Cn1nc(N)c2ccc(C(C)(C)C)cc21
• InChI: InChI=1S/2C13H18N2.C13H16O.C13H16S.2C12H15ClN2.C12H13ClO.C12H13ClS.2C12H17N3.C12H16N2.2C12H15NO.C12H15NS.C11H12ClNO.C11H14N2O.16CH4/c2*1-9-11-7-6-10(13(2,3)4)8-12(11)15(5)14-9;2*1-9-8-14-12-7-10(13(2,3)4)5-6-11(9)12;2*1-12(2,3)8-5-6-9-10(7-8)15(4)14-11(9)13;2*1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8;2*1-12(2,3)8-5-6-9-10(7-8)15(4)14-11(9)13;2*1-8-10-6-5-9(12(2,3)4)7-11(10)14-13-8;2*1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8;2*1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;;;;;;;;;;;;;;;;/h2*6-8H,1-5H3;2*5-8H,1-4H3;2*5-7H,1-4H3;2*4-7H,1-3H3;2*5-7H,1-4H3,(H2,13,14);5-7H,1-4H3,(H,13,14);5-7H,1-4H3;2*4-7H,13H2,1-3H3;4-6H,1-3H3;4-6H,1-3H3,(H2,12,13);16*1H4
• InChIKey: FXCNNNYAHPUFBU-UHFFFAOYSA-N
• XLogP: 66.45
• TPSA: 383.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3511.40
LogP ≤ 5	66.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane?

The IUPAC name of 6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane (CID 158168201) is 6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane.

What is the SMILES notation for 6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane?

The canonical SMILES for 6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc2c(Cl)coc2c1.CC(C)(C)c1ccc2c(Cl)csc2c1.CC(C)(C)c1ccc2c(Cl)noc2c1.CC(C)(C)c1ccc2c(N)coc2c1.CC(C)(C)c1ccc2c(N)csc2c1.CC(C)(C)c1ccc2c(N)noc2c1.Cc1[nH]nc2cc(C(C)(C)C)ccc12.Cc1coc2cc(C(C)(C)C)ccc12.Cc1csc2cc(C(C)(C)C)ccc12.Cc1nn(C)c2cc(C(C)(C)C)ccc12.Cc1nn(C)c2cc(C(C)(C)C)ccc12.Cc1noc2cc(C(C)(C)C)ccc12.Cn1nc(Cl)c2ccc(C(C)(C)C)cc21.Cn1nc(Cl)c2ccc(C(C)(C)C)cc21.Cn1nc(N)c2ccc(C(C)(C)C)cc21.Cn1nc(N)c2ccc(C(C)(C)C)cc21.

What is the InChIKey of 6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane?

The InChIKey is FXCNNNYAHPUFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18N2.C13H16O.C13H16S.2C12H15ClN2.C12H13ClO.C12H13ClS.2C12H17N3.C12H16N2.2C12H15NO.C12H15NS.C11H12ClNO.C11H14N2O.16CH4/c2*1-9-11-7-6-10(13(2,3)4)8-12(11)15(5)14-9;2*1-9-8-14-12-7-10(13(2,3)4)5-6-11(9)12;2*1-12(2,3)8-5-6-9-10(7-8)15(4)14-11(9)13;2*1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8;2*1-12(2,3)8-5-6-9-10(7-8)15(4)14-11(9)13;2*1-8-10-6-5-9(12(2,3)4)7-11(10)14-13-8;2*1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8;2*1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;;;;;;;;;;;;;;;;/h2*6-8H,1-5H3;2*5-8H,1-4H3;2*5-7H,1-4H3;2*4-7H,1-3H3;2*5-7H,1-4H3,(H2,13,14);5-7H,1-4H3,(H,13,14);5-7H,1-4H3;2*4-7H,13H2,1-3H3;4-6H,1-3H3;4-6H,1-3H3,(H2,12,13);16*1H4.

What are the key properties of 6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane?

6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane has a molecular weight of 3511.40 g/mol, XLogP of 66.45, 0 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1-benzothiophene;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;methane is sourced from PubChem (CID 158168201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).