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

C121H141Br2ClN14O16 — CID 159104369

About N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]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-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine (PubChem CID 159104369) has the molecular formula C121H141Br2ClN14O16 and a molecular weight of 2242.80 g/mol. Its IUPAC name is N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]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-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine
• PubChem CID: 159104369
• Molecular Formula: C121H141Br2ClN14O16
• Molecular Weight: 2242.80 g/mol
• Exact Mass: 2238.87
• IUPAC Name: N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine
• SMILES: CC(c1c[nH]c2ccc(Cl)cc12)N(O)Cc1ccccc1.CC(c1c[nH]c2ccccc12)N(O)Cc1ccccc1.COc1cc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc(OC)c1.COc1ccc(CN(O)C(CC(C)C)c2c[nH]c3ccccc23)c(OC)c1.COc1ccc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc2[nH]cc(C(C)N(O)Cc3ccccc3)c2c1
• InChI: InChI=1S/C24H30BrN3O5.C23H28BrN3O4.C22H28N2O3.C18H20N2O2.C17H17ClN2O.C17H18N2O/c1-24(2,3)33-23(29)27-13-22(20-12-26-21-7-6-16(25)10-19(20)21)28(30)14-15-8-17(31-4)11-18(9-15)32-5;1-23(2,3)31-22(28)26-13-21(19-12-25-20-10-7-16(24)11-18(19)20)27(29)14-15-5-8-17(30-4)9-6-15;1-15(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;1-13(20(21)12-14-6-4-3-5-7-14)17-11-19-18-9-8-15(22-2)10-16(17)18;1-12(20(21)11-13-5-3-2-4-6-13)16-10-19-17-8-7-14(18)9-15(16)17;1-13(19(20)12-14-7-3-2-4-8-14)16-11-18-17-10-6-5-9-15(16)17/h6-12,22,26,30H,13-14H2,1-5H3,(H,27,29);5-12,21,25,29H,13-14H2,1-4H3,(H,26,28);5-10,12-13,15,21,23,25H,11,14H2,1-4H3;3-11,13,19,21H,12H2,1-2H3;2-10,12,19,21H,11H2,1H3;2-11,13,18,20H,12H2,1H3
• InChIKey: KDROJFVIERUIMI-UHFFFAOYSA-N
• XLogP: 28.99
• TPSA: 367.60 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 22
• Rotatable Bonds: 36
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2242.80
LogP ≤ 5	28.99
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'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-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]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-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine (CID 159104369) is N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]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-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]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-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine is CC(c1c[nH]c2ccc(Cl)cc12)N(O)Cc1ccccc1.CC(c1c[nH]c2ccccc12)N(O)Cc1ccccc1.COc1cc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc(OC)c1.COc1ccc(CN(O)C(CC(C)C)c2c[nH]c3ccccc23)c(OC)c1.COc1ccc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc2[nH]cc(C(C)N(O)Cc3ccccc3)c2c1.

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

The InChIKey is KDROJFVIERUIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrN3O5.C23H28BrN3O4.C22H28N2O3.C18H20N2O2.C17H17ClN2O.C17H18N2O/c1-24(2,3)33-23(29)27-13-22(20-12-26-21-7-6-16(25)10-19(20)21)28(30)14-15-8-17(31-4)11-18(9-15)32-5;1-23(2,3)31-22(28)26-13-21(19-12-25-20-10-7-16(24)11-18(19)20)27(29)14-15-5-8-17(30-4)9-6-15;1-15(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;1-13(20(21)12-14-6-4-3-5-7-14)17-11-19-18-9-8-15(22-2)10-16(17)18;1-12(20(21)11-13-5-3-2-4-6-13)16-10-19-17-8-7-14(18)9-15(16)17;1-13(19(20)12-14-7-3-2-4-8-14)16-11-18-17-10-6-5-9-15(16)17/h6-12,22,26,30H,13-14H2,1-5H3,(H,27,29);5-12,21,25,29H,13-14H2,1-4H3,(H,26,28);5-10,12-13,15,21,23,25H,11,14H2,1-4H3;3-11,13,19,21H,12H2,1-2H3;2-10,12,19,21H,11H2,1H3;2-11,13,18,20H,12H2,1H3.

What are the key properties of N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]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-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine has a molecular weight of 2242.80 g/mol, XLogP of 28.99, 36 rotatable bonds, 14 hydrogen bond donors, and 22 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-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;N-[(2,4-dimethoxyphenyl)methyl]-N-[1-(1H-indol-3-yl)-3-methylbutyl]hydroxylamine is sourced from PubChem (CID 159104369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).