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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine

C241H308Cl6N32O6S3 — CID 157459326

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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine

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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine (PubChem CID 157459326) has the molecular formula C241H308Cl6N32O6S3 and a molecular weight of 4058.25 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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine.

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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine
• PubChem CID: 157459326
• Molecular Formula: C241H308Cl6N32O6S3
• Molecular Weight: 4058.25 g/mol
• Exact Mass: 4052.21
• 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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine
• SMILES: CC(C)(C)c1ccc2c(Cl)[nH]nc2c1.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)n[nH]c2c1.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.Cn1cc(N)c2ccc(C(C)(C)C)cc21.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.Cn1nc(N)c2ccc(C(C)(C)C)cc21
• InChI: InChI=1S/3C13H18N2.C13H16O.C13H16S.2C12H15ClN2.C12H13ClO.C12H13ClS.3C12H17N3.C12H16N2.2C12H15NO.C12H15NS.C11H13ClN2.C11H12ClNO.C11H15N3.C11H14N2O/c2*1-9-11-7-6-10(13(2,3)4)8-12(11)15(5)14-9;1-13(2,3)9-5-6-10-11(14)8-15(4)12(10)7-9;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;3*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;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12/h2*6-8H,1-5H3;5-8H,14H2,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3;2*4-7H,1-3H3;3*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,(H,13,14);4-6H,1-3H3;4-6H,1-3H3,(H3,12,13,14);4-6H,1-3H3,(H2,12,13)
• InChIKey: BTSVTRNBDXDFNO-UHFFFAOYSA-N
• XLogP: 67.74
• TPSA: 541.38 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Heavy Atoms: 288
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4058.25
LogP ≤ 5	67.74
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine?

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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine (CID 157459326) 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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine.

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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine?

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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine is CC(C)(C)c1ccc2c(Cl)[nH]nc2c1.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)n[nH]c2c1.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.Cn1cc(N)c2ccc(C(C)(C)C)cc21.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.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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine?

The InChIKey is BTSVTRNBDXDFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H18N2.C13H16O.C13H16S.2C12H15ClN2.C12H13ClO.C12H13ClS.3C12H17N3.C12H16N2.2C12H15NO.C12H15NS.C11H13ClN2.C11H12ClNO.C11H15N3.C11H14N2O/c2*1-9-11-7-6-10(13(2,3)4)8-12(11)15(5)14-9;1-13(2,3)9-5-6-10-11(14)8-15(4)12(10)7-9;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;3*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;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12/h2*6-8H,1-5H3;5-8H,14H2,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3;2*4-7H,1-3H3;3*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,(H,13,14);4-6H,1-3H3;4-6H,1-3H3,(H3,12,13,14);4-6H,1-3H3,(H2,12,13).

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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine?

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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine has a molecular weight of 4058.25 g/mol, XLogP of 67.74, 0 rotatable bonds, 11 hydrogen bond donors, and 38 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;6-tert-butyl-3-chloro-2H-indazole;bis(6-tert-butyl-3-chloro-1-methylindazole);bis(6-tert-butyl-1,3-dimethylindazole);6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1-benzofuran;6-tert-butyl-3-methyl-1-benzothiophene;6-tert-butyl-3-methyl-1,2-benzoxazole;tris(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-1-methylindol-3-amine is sourced from PubChem (CID 157459326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).