6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

C123H155B3Br2Cl3N23O10 — CID 158681192

About 6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (PubChem CID 158681192) has the molecular formula C123H155B3Br2Cl3N23O10 and a molecular weight of 2414.35 g/mol. Its IUPAC name is 6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

Molecular Properties

• Compound Name: 6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
• PubChem CID: 158681192
• Molecular Formula: C123H155B3Br2Cl3N23O10
• Molecular Weight: 2414.35 g/mol
• Exact Mass: 2410.00
• IUPAC Name: 6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
• SMILES: Brc1ccc2cc[nH]c2c1.CC(C)(C)OC(=O)N(c1ccc2c(c1)C=NC2)c1ccnc(Cl)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(C)CCCl.CN(C)CCn1ccc2ccc(-c3nccc(N(C(=O)OC(C)(C)C)c4ccc5c(c4)C=NC5)n3)cc21.CN(C)CCn1ccc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc21.CN(C)CCn1ccc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CN(C)CCn1ccc2ccc(Br)cc21.Cl
• InChI: InChI=1S/C29H32N6O2.C23H23N7.C18H27BN2O2.C17H17ClN4O2.C12H24B2O4.C12H15BrN2.C8H6BrN.C4H10ClN.ClH/c1-29(2,3)37-28(36)35(24-9-8-22-18-30-19-23(22)16-24)26-10-12-31-27(32-26)21-7-6-20-11-13-34(25(20)17-21)15-14-33(4)5;1-29(2)11-12-30-10-8-16-3-4-17(14-21(16)30)23-24-9-7-22(27-23)26-19-5-6-20-18(13-19)15-25-28-20;1-17(2)18(3,4)23-19(22-17)15-8-7-14-9-10-21(16(14)13-15)12-11-20(5)6;1-17(2,3)24-16(23)22(14-6-7-20-15(18)21-14)13-5-4-11-9-19-10-12(11)8-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-14(2)7-8-15-6-5-10-3-4-11(13)9-12(10)15;9-7-2-1-6-3-4-10-8(6)5-7;1-6(2)4-3-5;/h6-13,16-17,19H,14-15,18H2,1-5H3;3-10,13-15H,11-12H2,1-2H3,(H,25,28)(H,24,26,27);7-10,13H,11-12H2,1-6H3;4-8,10H,9H2,1-3H3;1-8H3;3-6,9H,7-8H2,1-2H3;1-5,10H;3-4H2,1-2H3;1H
• InChIKey: FLVXUAQCBGCRDB-UHFFFAOYSA-N
• XLogP: 25.94
• TPSA: 308.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2414.35
LogP ≤ 5	25.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The IUPAC name of 6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (CID 158681192) is 6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

What is the SMILES notation for 6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The canonical SMILES for 6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is Brc1ccc2cc[nH]c2c1.CC(C)(C)OC(=O)N(c1ccc2c(c1)C=NC2)c1ccnc(Cl)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(C)CCCl.CN(C)CCn1ccc2ccc(-c3nccc(N(C(=O)OC(C)(C)C)c4ccc5c(c4)C=NC5)n3)cc21.CN(C)CCn1ccc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc21.CN(C)CCn1ccc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CN(C)CCn1ccc2ccc(Br)cc21.Cl.

What is the InChIKey of 6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The InChIKey is FLVXUAQCBGCRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2.C23H23N7.C18H27BN2O2.C17H17ClN4O2.C12H24B2O4.C12H15BrN2.C8H6BrN.C4H10ClN.ClH/c1-29(2,3)37-28(36)35(24-9-8-22-18-30-19-23(22)16-24)26-10-12-31-27(32-26)21-7-6-20-11-13-34(25(20)17-21)15-14-33(4)5;1-29(2)11-12-30-10-8-16-3-4-17(14-21(16)30)23-24-9-7-22(27-23)26-19-5-6-20-18(13-19)15-25-28-20;1-17(2)18(3,4)23-19(22-17)15-8-7-14-9-10-21(16(14)13-15)12-11-20(5)6;1-17(2,3)24-16(23)22(14-6-7-20-15(18)21-14)13-5-4-11-9-19-10-12(11)8-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-14(2)7-8-15-6-5-10-3-4-11(13)9-12(10)15;9-7-2-1-6-3-4-10-8(6)5-7;1-6(2)4-3-5;/h6-13,16-17,19H,14-15,18H2,1-5H3;3-10,13-15H,11-12H2,1-2H3,(H,25,28)(H,24,26,27);7-10,13H,11-12H2,1-6H3;4-8,10H,9H2,1-3H3;1-8H3;3-6,9H,7-8H2,1-2H3;1-5,10H;3-4H2,1-2H3;1H.

What are the key properties of 6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride has a molecular weight of 2414.35 g/mol, XLogP of 25.94, 24 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1H-indole;2-(6-bromoindol-1-yl)-N,N-dimethylethanamine;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-N-(1H-isoindol-5-yl)carbamate;2-chloro-N,N-dimethylethanamine;N-[2-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine;N,N-dimethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is sourced from PubChem (CID 158681192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).