N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine

C120H155Br3ClN15O18 — CID 157195131

About N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine

N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine (PubChem CID 157195131) has the molecular formula C120H155Br3ClN15O18 and a molecular weight of 2370.81 g/mol. Its IUPAC name is N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine.

Molecular Properties

• Compound Name: N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine
• PubChem CID: 157195131
• Molecular Formula: C120H155Br3ClN15O18
• Molecular Weight: 2370.81 g/mol
• Exact Mass: 2365.89
• IUPAC Name: N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine
• SMILES: CC(C)(C)OC(=O)NCC(NC(=O)OC(C)(C)C)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(NC(=O)OC(C)(C)C)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)OC(C)(C)C)c1c[nH]c2ccccc12.CC(c1c[nH]c2ccc(Cl)cc12)N(O)Cc1ccccc1.COc1ccc(CN(O)C(CC(C)C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc(CN(O)C(CC(C)C)c2c[nH]c3ccccc23)c(OC)c1
• InChI: InChI=1S/C22H28N2O3.C21H25BrN2O2.2C20H28BrN3O4.C20H29N3O4.C17H17ClN2O/c1-15(2)11-21(19-13-23-20-8-6-5-7-18(19)20)24(25)14-16-9-10-17(26-3)12-22(16)27-4;1-14(2)10-21(19-12-23-20-9-6-16(22)11-18(19)20)24(25)13-15-4-7-17(26-3)8-5-15;1-19(2,3)27-17(25)23-11-16(24-18(26)28-20(4,5)6)14-10-22-15-8-7-12(21)9-13(14)15;1-19(2,3)27-17(25)23-11-16(24-18(26)28-20(4,5)6)14-10-22-15-9-12(21)7-8-13(14)15;1-19(2,3)26-17(24)22-12-16(23-18(25)27-20(4,5)6)14-11-21-15-10-8-7-9-13(14)15;1-12(20(21)11-13-5-3-2-4-6-13)16-10-19-17-8-7-14(18)9-15(16)17/h5-10,12-13,15,21,23,25H,11,14H2,1-4H3;4-9,11-12,14,21,23,25H,10,13H2,1-3H3;2*7-10,16,22H,11H2,1-6H3,(H,23,25)(H,24,26);7-11,16,21H,12H2,1-6H3,(H,22,24)(H,23,25);2-10,12,19,21H,11H2,1H3
• InChIKey: AQDQMRWTEFTEIL-UHFFFAOYSA-N
• XLogP: 30.16
• TPSA: 422.82 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 21
• Rotatable Bonds: 31
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2370.81
LogP ≤ 5	30.16
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	21

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-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine?

The IUPAC name of N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine (CID 157195131) is N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine.

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

The canonical SMILES for N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine is CC(C)(C)OC(=O)NCC(NC(=O)OC(C)(C)C)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(NC(=O)OC(C)(C)C)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)OC(C)(C)C)c1c[nH]c2ccccc12.CC(c1c[nH]c2ccc(Cl)cc12)N(O)Cc1ccccc1.COc1ccc(CN(O)C(CC(C)C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc(CN(O)C(CC(C)C)c2c[nH]c3ccccc23)c(OC)c1.

What is the InChIKey of N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine?

The InChIKey is AQDQMRWTEFTEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3.C21H25BrN2O2.2C20H28BrN3O4.C20H29N3O4.C17H17ClN2O/c1-15(2)11-21(19-13-23-20-8-6-5-7-18(19)20)24(25)14-16-9-10-17(26-3)12-22(16)27-4;1-14(2)10-21(19-12-23-20-9-6-16(22)11-18(19)20)24(25)13-15-4-7-17(26-3)8-5-15;1-19(2,3)27-17(25)23-11-16(24-18(26)28-20(4,5)6)14-10-22-15-8-7-12(21)9-13(14)15;1-19(2,3)27-17(25)23-11-16(24-18(26)28-20(4,5)6)14-10-22-15-9-12(21)7-8-13(14)15;1-19(2,3)26-17(24)22-12-16(23-18(25)27-20(4,5)6)14-11-21-15-10-8-7-9-13(14)15;1-12(20(21)11-13-5-3-2-4-6-13)16-10-19-17-8-7-14(18)9-15(16)17/h5-10,12-13,15,21,23,25H,11,14H2,1-4H3;4-9,11-12,14,21,23,25H,10,13H2,1-3H3;2*7-10,16,22H,11H2,1-6H3,(H,23,25)(H,24,26);7-11,16,21H,12H2,1-6H3,(H,22,24)(H,23,25);2-10,12,19,21H,11H2,1H3.

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

N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine has a molecular weight of 2370.81 g/mol, XLogP of 30.16, 31 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine is sourced from PubChem (CID 157195131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).