6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine

C121H130Br6N14O3 — CID 160998321

About 6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine

6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 160998321) has the molecular formula C121H130Br6N14O3 and a molecular weight of 2307.89 g/mol. Its IUPAC name is 6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
• PubChem CID: 160998321
• Molecular Formula: C121H130Br6N14O3
• Molecular Weight: 2307.89 g/mol
• Exact Mass: 2300.56
• IUPAC Name: 6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
• SMILES: Brc1ccc2[nH]c3c(c2c1)CCCC3N1CC=CC1.Brc1ccc2[nH]c3c(c2c1)CCCC3NCc1ccc2c(c1)CCO2.Brc1ccc2[nH]c3c(c2c1)CCCC3n1ccc(CN2CCCCC2)c1.CN(C)c1ccc(NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.COCCc1cccc(NC2CCCc3c2[nH]c2ccc(Br)cc32)c1.Cc1cccc(C(=O)N(C)C2CCCc3c2[nH]c2ccc(Br)cc32)c1
• InChI: InChI=1S/C22H26BrN3.2C21H21BrN2O.C21H23BrN2O.C20H22BrN3.C16H17BrN2/c23-17-7-8-20-19(13-17)18-5-4-6-21(22(18)24-20)26-12-9-16(15-26)14-25-10-2-1-3-11-25;22-15-5-6-18-17(11-15)16-2-1-3-19(21(16)24-18)23-12-13-4-7-20-14(10-13)8-9-25-20;1-13-5-3-6-14(11-13)21(25)24(2)19-8-4-7-16-17-12-15(22)9-10-18(17)23-20(16)19;1-25-11-10-14-4-2-5-16(12-14)23-20-7-3-6-17-18-13-15(22)8-9-19(18)24-21(17)20;1-24(2)15-9-7-14(8-10-15)22-19-5-3-4-16-17-12-13(21)6-11-18(17)23-20(16)19;17-11-6-7-14-13(10-11)12-4-3-5-15(16(12)18-14)19-8-1-2-9-19/h7-9,12-13,15,21,24H,1-6,10-11,14H2;4-7,10-11,19,23-24H,1-3,8-9,12H2;3,5-6,9-12,19,23H,4,7-8H2,1-2H3;2,4-5,8-9,12-13,20,23-24H,3,6-7,10-11H2,1H3;6-12,19,22-23H,3-5H2,1-2H3;1-2,6-7,10,15,18H,3-5,8-9H2
• InChIKey: TVNPZFHKHMXCBQ-UHFFFAOYSA-N
• XLogP: 31.34
• TPSA: 184.25 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2307.89
LogP ≤ 5	31.34
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?

The IUPAC name of 6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine (CID 160998321) is 6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.

What is the SMILES notation for 6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?

The canonical SMILES for 6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine is Brc1ccc2[nH]c3c(c2c1)CCCC3N1CC=CC1.Brc1ccc2[nH]c3c(c2c1)CCCC3NCc1ccc2c(c1)CCO2.Brc1ccc2[nH]c3c(c2c1)CCCC3n1ccc(CN2CCCCC2)c1.CN(C)c1ccc(NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.COCCc1cccc(NC2CCCc3c2[nH]c2ccc(Br)cc32)c1.Cc1cccc(C(=O)N(C)C2CCCc3c2[nH]c2ccc(Br)cc32)c1.

What is the InChIKey of 6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?

The InChIKey is TVNPZFHKHMXCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3.2C21H21BrN2O.C21H23BrN2O.C20H22BrN3.C16H17BrN2/c23-17-7-8-20-19(13-17)18-5-4-6-21(22(18)24-20)26-12-9-16(15-26)14-25-10-2-1-3-11-25;22-15-5-6-18-17(11-15)16-2-1-3-19(21(16)24-18)23-12-13-4-7-20-14(10-13)8-9-25-20;1-13-5-3-6-14(11-13)21(25)24(2)19-8-4-7-16-17-12-15(22)9-10-18(17)23-20(16)19;1-25-11-10-14-4-2-5-16(12-14)23-20-7-3-6-17-18-13-15(22)8-9-19(18)24-21(17)20;1-24(2)15-9-7-14(8-10-15)22-19-5-3-4-16-17-12-13(21)6-11-18(17)23-20(16)19;17-11-6-7-14-13(10-11)12-4-3-5-15(16(12)18-14)19-8-1-2-9-19/h7-9,12-13,15,21,24H,1-6,10-11,14H2;4-7,10-11,19,23-24H,1-3,8-9,12H2;3,5-6,9-12,19,23H,4,7-8H2,1-2H3;2,4-5,8-9,12-13,20,23-24H,3,6-7,10-11H2,1H3;6-12,19,22-23H,3-5H2,1-2H3;1-2,6-7,10,15,18H,3-5,8-9H2.

What are the key properties of 6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?

6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 2307.89 g/mol, XLogP of 31.34, 17 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dihydropyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-[3-(2-methoxyethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;1-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 160998321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).