N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate

C153H178Br7ClN20O20 — CID 161458450

About N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate

N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate (PubChem CID 161458450) has the molecular formula C153H178Br7ClN20O20 and a molecular weight of 3212.01 g/mol. Its IUPAC name is N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate.

Molecular Properties

• Compound Name: N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate
• PubChem CID: 161458450
• Molecular Formula: C153H178Br7ClN20O20
• Molecular Weight: 3212.01 g/mol
• Exact Mass: 3202.75
• IUPAC Name: N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate
• 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)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Br)cc12)N(O)Cc1ccccc1.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Cl)cc12)N(O)C(=O)OC(C)(C)C.CC(NCc1ccccc1)c1c[nH]c2ccc(Br)cc12.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.C20H28BrN3O5.C20H28ClN3O5.C18H19BrN2O2.2C17H17BrN2O.C17H17BrN2/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;2*1-19(2,3)28-17(25)23-11-16(24(27)18(26)29-20(4,5)6)14-10-22-15-8-7-12(21)9-13(14)15;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;1-12(19-10-13-5-3-2-4-6-13)16-11-20-17-8-7-14(18)9-15(16)17/h2*4-12,20,24,28H,13-14H2,1-3H3,(H,25,27);2*7-10,16,22,27H,11H2,1-6H3,(H,23,25);3-10,12,20,22H,11H2,1-2H3;2*2-10,12,19,21H,11H2,1H3;2-9,11-12,19-20H,10H2,1H3
• InChIKey: WBLZRRMNXNWDGY-UHFFFAOYSA-N
• XLogP: 40.35
• TPSA: 517.79 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 26
• Rotatable Bonds: 37
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3212.01
LogP ≤ 5	40.35
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate?

The IUPAC name of N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate (CID 161458450) is N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate.

What is the SMILES notation for N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate?

The canonical SMILES for N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate 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)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Br)cc12)N(O)Cc1ccccc1.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Cl)cc12)N(O)C(=O)OC(C)(C)C.CC(NCc1ccccc1)c1c[nH]c2ccc(Br)cc12.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-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate?

The InChIKey is WBLZRRMNXNWDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H26BrN3O3.C20H28BrN3O5.C20H28ClN3O5.C18H19BrN2O2.2C17H17BrN2O.C17H17BrN2/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;2*1-19(2,3)28-17(25)23-11-16(24(27)18(26)29-20(4,5)6)14-10-22-15-8-7-12(21)9-13(14)15;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;1-12(19-10-13-5-3-2-4-6-13)16-11-20-17-8-7-14(18)9-15(16)17/h2*4-12,20,24,28H,13-14H2,1-3H3,(H,25,27);2*7-10,16,22,27H,11H2,1-6H3,(H,23,25);3-10,12,20,22H,11H2,1-2H3;2*2-10,12,19,21H,11H2,1H3;2-9,11-12,19-20H,10H2,1H3.

What are the key properties of N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate?

N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate has a molecular weight of 3212.01 g/mol, XLogP of 40.35, 37 rotatable bonds, 20 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate is sourced from PubChem (CID 161458450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).