N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate

C118H132Br5N15O13 — CID 158838233

About N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate

N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate (PubChem CID 158838233) has the molecular formula C118H132Br5N15O13 and a molecular weight of 2367.97 g/mol. Its IUPAC name is N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

• Compound Name: N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate
• PubChem CID: 158838233
• Molecular Formula: C118H132Br5N15O13
• Molecular Weight: 2367.97 g/mol
• Exact Mass: 2361.60
• IUPAC Name: N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCC(c1c[nH]c2cc(Br)ccc12)N(O)Cc1ccccc1.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Br)cc12)N(O)Cc1ccccc1.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccccc12)N(O)Cc1ccccc1.CC(c1c[nH]c2cc(Br)ccc12)N(O)Cc1ccccc1.CC(c1c[nH]c2ccc(Br)cc12)N(O)Cc1ccccc1.COc1ccc(CN(O)C(C)c2c[nH]c3ccc(Br)cc23)cc1
• InChI: InChI=1S/2C22H26BrN3O3.C22H27N3O3.C18H19BrN2O2.2C17H17BrN2O/c1-22(2,3)29-21(27)25-13-20(26(28)14-15-7-5-4-6-8-15)18-12-24-19-10-9-16(23)11-17(18)19;1-22(2,3)29-21(27)25-13-20(26(28)14-15-7-5-4-6-8-15)18-12-24-19-11-16(23)9-10-17(18)19;1-22(2,3)28-21(26)24-14-20(25(27)15-16-9-5-4-6-10-16)18-13-23-19-12-8-7-11-17(18)19;1-12(17-10-20-18-8-5-14(19)9-16(17)18)21(22)11-13-3-6-15(23-2)7-4-13;1-12(20(21)11-13-5-3-2-4-6-13)16-10-19-17-8-7-14(18)9-15(16)17;1-12(20(21)11-13-5-3-2-4-6-13)16-10-19-17-9-14(18)7-8-15(16)17/h2*4-12,20,24,28H,13-14H2,1-3H3,(H,25,27);4-13,20,23,27H,14-15H2,1-3H3,(H,24,26);3-10,12,20,22H,11H2,1-2H3;2*2-10,12,19,21H,11H2,1H3
• InChIKey: IXXDUINAGKWGMT-UHFFFAOYSA-N
• XLogP: 30.06
• TPSA: 359.78 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 19
• Rotatable Bonds: 31
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2367.97
LogP ≤ 5	30.06
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate?

The IUPAC name of N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate (CID 158838233) is N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate.

What is the SMILES notation for N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate?

The canonical SMILES for N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCC(c1c[nH]c2cc(Br)ccc12)N(O)Cc1ccccc1.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Br)cc12)N(O)Cc1ccccc1.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccccc12)N(O)Cc1ccccc1.CC(c1c[nH]c2cc(Br)ccc12)N(O)Cc1ccccc1.CC(c1c[nH]c2ccc(Br)cc12)N(O)Cc1ccccc1.COc1ccc(CN(O)C(C)c2c[nH]c3ccc(Br)cc23)cc1.

What is the InChIKey of N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate?

The InChIKey is IXXDUINAGKWGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H26BrN3O3.C22H27N3O3.C18H19BrN2O2.2C17H17BrN2O/c1-22(2,3)29-21(27)25-13-20(26(28)14-15-7-5-4-6-8-15)18-12-24-19-10-9-16(23)11-17(18)19;1-22(2,3)29-21(27)25-13-20(26(28)14-15-7-5-4-6-8-15)18-12-24-19-11-16(23)9-10-17(18)19;1-22(2,3)28-21(26)24-14-20(25(27)15-16-9-5-4-6-10-16)18-13-23-19-12-8-7-11-17(18)19;1-12(17-10-20-18-8-5-14(19)9-16(17)18)21(22)11-13-3-6-15(23-2)7-4-13;1-12(20(21)11-13-5-3-2-4-6-13)16-10-19-17-8-7-14(18)9-15(16)17;1-12(20(21)11-13-5-3-2-4-6-13)16-10-19-17-9-14(18)7-8-15(16)17/h2*4-12,20,24,28H,13-14H2,1-3H3,(H,25,27);4-13,20,23,27H,14-15H2,1-3H3,(H,24,26);3-10,12,20,22H,11H2,1-2H3;2*2-10,12,19,21H,11H2,1H3.

What are the key properties of N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate?

N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate has a molecular weight of 2367.97 g/mol, XLogP of 30.06, 31 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 158838233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).