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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-amine
C230H298Cl9N35O4S — CID 160828983
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-amine
SMILESCC(C)(C)c1cc2c(Cl)nccc2[nH]1.CC(C)(C)c1cc2c(Cl)nccc2[nH]1.CC(C)(C)c1cc2cncc(Cl)c2[nH]1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1ccc2c(Cl)c[nH]c2c1.CC(C)(C)c1ccc2c(Cl)coc2c1.CC(C)(C)c1ccc2c(Cl)noc2c1.CC(C)(C)c1ccc2c(N)c[nH]c2c1.CC(C)(C)c1ccc2c(N)coc2c1.CC(C)(C)c1ccc2c(N)csc2c1.CC(C)(C)c1ccc2c(N)noc2c1.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(N)ncc1C(C)(C)C.Cn1c(C(C)(C)C)cc2c(Cl)nccc21.Cn1c(C(C)(C)C)cc2c(N)nccc21.Cn1c(C(C)(C)C)cc2cncc(Cl)c21.Cn1c(C(C)(C)C)cc2nc(N)ccc21.Cn1c(C(C)(C)C)cc2ncccc21.Cn1cc(Cl)c2ccc(C(C)(C)C)cc21.Cn1cc(N)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C13H16ClN.C13H18N2.2C12H15ClN2.C12H14ClN.C12H13ClO.2C12H17N3.2C12H16N2.C12H15NO.C12H15NS.3C11H13ClN2.C11H12ClNO.C11H14N2O.2C10H16N2.C9H14N2/c2*1-13(2,3)9-5-6-10-11(14)8-15(4)12(10)7-9;1-12(2,3)10-5-8-6-14-7-9(13)11(8)15(10)4;1-12(2,3)10-7-8-9(15(10)4)5-6-14-11(8)13;2*1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8;1-12(2,3)10-7-8-9(15(10)4)5-6-14-11(8)13;1-12(2,3)10-7-8-9(15(10)4)5-6-11(13)14-8;1-12(2,3)11-8-9-10(14(11)4)6-5-7-13-9;3*1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8;1-11(2,3)9-4-7-5-13-6-8(12)10(7)14-9;2*1-11(2,3)9-6-7-8(14-9)4-5-13-10(7)12;2*1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;1-7-5-9(11)12-6-8(7)10(2,3)4;1-7-5-8(10(2,3)4)6-12-9(7)11;1-9(2,3)7-4-5-8(10)11-6-7/h5-8H,1-4H3;5-8H,14H2,1-4H3;2*5-7H,1-4H3;4-7,14H,1-3H3;4-7H,1-3H3;2*5-7H,1-4H3,(H2,13,14);5-8H,1-4H3;4-7,14H,13H2,1-3H3;2*4-7H,13H2,1-3H3;3*4-6,14H,1-3H3;4-6H,1-3H3;4-6H,1-3H3,(H2,12,13);2*5-6H,1-4H3,(H2,11,12);4-6H,1-3H3,(H2,10,11)
InChIKeySGNYBOCDBWKXRM-UHFFFAOYSA-N
MW3968.30 g/mol
LogP64.18
Rot. Bonds
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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-amine (PubChem CID 160828983) has the molecular formula C230H298Cl9N35O4S and a molecular weight of 3968.30 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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-amine |
|---|---|
| PubChem CID | 160828983 |
| Molecular Formula | C230H298Cl9N35O4S |
| Molecular Weight | 3968.30 g/mol |
| Exact Mass | 3961.11 |
| 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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-amine |
| SMILES | CC(C)(C)c1cc2c(Cl)nccc2[nH]1.CC(C)(C)c1cc2c(Cl)nccc2[nH]1.CC(C)(C)c1cc2cncc(Cl)c2[nH]1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1ccc2c(Cl)c[nH]c2c1.CC(C)(C)c1ccc2c(Cl)coc2c1.CC(C)(C)c1ccc2c(Cl)noc2c1.CC(C)(C)c1ccc2c(N)c[nH]c2c1.CC(C)(C)c1ccc2c(N)coc2c1.CC(C)(C)c1ccc2c(N)csc2c1.CC(C)(C)c1ccc2c(N)noc2c1.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(N)ncc1C(C)(C)C.Cn1c(C(C)(C)C)cc2c(Cl)nccc21.Cn1c(C(C)(C)C)cc2c(N)nccc21.Cn1c(C(C)(C)C)cc2cncc(Cl)c21.Cn1c(C(C)(C)C)cc2nc(N)ccc21.Cn1c(C(C)(C)C)cc2ncccc21.Cn1cc(Cl)c2ccc(C(C)(C)C)cc21.Cn1cc(N)c2ccc(C(C)(C)C)cc21 |
| InChI | InChI=1S/C13H16ClN.C13H18N2.2C12H15ClN2.C12H14ClN.C12H13ClO.2C12H17N3.2C12H16N2.C12H15NO.C12H15NS.3C11H13ClN2.C11H12ClNO.C11H14N2O.2C10H16N2.C9H14N2/c2*1-13(2,3)9-5-6-10-11(14)8-15(4)12(10)7-9;1-12(2,3)10-5-8-6-14-7-9(13)11(8)15(10)4;1-12(2,3)10-7-8-9(15(10)4)5-6-14-11(8)13;2*1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8;1-12(2,3)10-7-8-9(15(10)4)5-6-14-11(8)13;1-12(2,3)10-7-8-9(15(10)4)5-6-11(13)14-8;1-12(2,3)11-8-9-10(14(11)4)6-5-7-13-9;3*1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8;1-11(2,3)9-4-7-5-13-6-8(12)10(7)14-9;2*1-11(2,3)9-6-7-8(14-9)4-5-13-10(7)12;2*1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;1-7-5-9(11)12-6-8(7)10(2,3)4;1-7-5-8(10(2,3)4)6-12-9(7)11;1-9(2,3)7-4-5-8(10)11-6-7/h5-8H,1-4H3;5-8H,14H2,1-4H3;2*5-7H,1-4H3;4-7,14H,1-3H3;4-7H,1-3H3;2*5-7H,1-4H3,(H2,13,14);5-8H,1-4H3;4-7,14H,13H2,1-3H3;2*4-7H,13H2,1-3H3;3*4-6,14H,1-3H3;4-6H,1-3H3;4-6H,1-3H3,(H2,12,13);2*5-6H,1-4H3,(H2,11,12);4-6H,1-3H3,(H2,10,11) |
| InChIKey | SGNYBOCDBWKXRM-UHFFFAOYSA-N |
| XLogP | 64.18 |
| TPSA | 593.79 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | |
| Heavy Atoms | 279 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3968.30 |
| LogP ≤ 5 | 64.18 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 35 |
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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-amine (CID 160828983) 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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-amine is CC(C)(C)c1cc2c(Cl)nccc2[nH]1.CC(C)(C)c1cc2c(Cl)nccc2[nH]1.CC(C)(C)c1cc2cncc(Cl)c2[nH]1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1ccc2c(Cl)c[nH]c2c1.CC(C)(C)c1ccc2c(Cl)coc2c1.CC(C)(C)c1ccc2c(Cl)noc2c1.CC(C)(C)c1ccc2c(N)c[nH]c2c1.CC(C)(C)c1ccc2c(N)coc2c1.CC(C)(C)c1ccc2c(N)csc2c1.CC(C)(C)c1ccc2c(N)noc2c1.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(N)ncc1C(C)(C)C.Cn1c(C(C)(C)C)cc2c(Cl)nccc21.Cn1c(C(C)(C)C)cc2c(N)nccc21.Cn1c(C(C)(C)C)cc2cncc(Cl)c21.Cn1c(C(C)(C)C)cc2nc(N)ccc21.Cn1c(C(C)(C)C)cc2ncccc21.Cn1cc(Cl)c2ccc(C(C)(C)C)cc21.Cn1cc(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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-amine?
The InChIKey is SGNYBOCDBWKXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN.C13H18N2.2C12H15ClN2.C12H14ClN.C12H13ClO.2C12H17N3.2C12H16N2.C12H15NO.C12H15NS.3C11H13ClN2.C11H12ClNO.C11H14N2O.2C10H16N2.C9H14N2/c2*1-13(2,3)9-5-6-10-11(14)8-15(4)12(10)7-9;1-12(2,3)10-5-8-6-14-7-9(13)11(8)15(10)4;1-12(2,3)10-7-8-9(15(10)4)5-6-14-11(8)13;2*1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8;1-12(2,3)10-7-8-9(15(10)4)5-6-14-11(8)13;1-12(2,3)10-7-8-9(15(10)4)5-6-11(13)14-8;1-12(2,3)11-8-9-10(14(11)4)6-5-7-13-9;3*1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8;1-11(2,3)9-4-7-5-13-6-8(12)10(7)14-9;2*1-11(2,3)9-6-7-8(14-9)4-5-13-10(7)12;2*1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;1-7-5-9(11)12-6-8(7)10(2,3)4;1-7-5-8(10(2,3)4)6-12-9(7)11;1-9(2,3)7-4-5-8(10)11-6-7/h5-8H,1-4H3;5-8H,14H2,1-4H3;2*5-7H,1-4H3;4-7,14H,1-3H3;4-7H,1-3H3;2*5-7H,1-4H3,(H2,13,14);5-8H,1-4H3;4-7,14H,13H2,1-3H3;2*4-7H,13H2,1-3H3;3*4-6,14H,1-3H3;4-6H,1-3H3;4-6H,1-3H3,(H2,12,13);2*5-6H,1-4H3,(H2,11,12);4-6H,1-3H3,(H2,10,11).
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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-amine has a molecular weight of 3968.30 g/mol, XLogP of 64.18, 0 rotatable bonds, 15 hydrogen bond donors, and 35 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-1,2-benzoxazole;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;bis(2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-amine is sourced from PubChem (CID 160828983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 160828983 — identifiers, structure, computed properties (public domain)
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