N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride

C119H152Br7Cl4N23O12 — CID 158538080

About N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride

N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride (PubChem CID 158538080) has the molecular formula C119H152Br7Cl4N23O12 and a molecular weight of 2797.81 g/mol. Its IUPAC name is N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride.

Molecular Properties

• Compound Name: N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride
• PubChem CID: 158538080
• Molecular Formula: C119H152Br7Cl4N23O12
• Molecular Weight: 2797.81 g/mol
• Exact Mass: 2787.50
• IUPAC Name: N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride
• SMILES: CC(C)(C)OC(=O)NCC(N)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(N)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NCc1ccccc1)c1c[nH]c2ccccc12.CC(C)(C)OC(=O)NCC(NO)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(NO)c1c[nH]c2ccc(Br)cc12.CC(NCc1ccccc1)c1c[nH]c2ccc(Br)cc12.Cl.Cl.Cl.Cl.NCC(N)c1c[nH]c2cc(Br)ccc12.NCC(N)c1c[nH]c2ccc(Br)cc12
• InChI: InChI=1S/C22H27N3O2.C17H17BrN2.2C15H20BrN3O3.2C15H20BrN3O2.2C10H12BrN3.4ClH/c1-22(2,3)27-21(26)25-15-20(23-13-16-9-5-4-6-10-16)18-14-24-19-12-8-7-11-17(18)19;1-12(19-10-13-5-3-2-4-6-13)16-11-20-17-8-7-14(18)9-15(16)17;1-15(2,3)22-14(20)18-8-13(19-21)11-7-17-12-5-4-9(16)6-10(11)12;1-15(2,3)22-14(20)18-8-13(19-21)11-7-17-12-6-9(16)4-5-10(11)12;1-15(2,3)21-14(20)19-8-12(17)11-7-18-13-5-4-9(16)6-10(11)13;1-15(2,3)21-14(20)19-8-12(17)11-7-18-13-6-9(16)4-5-10(11)13;11-6-1-2-10-7(3-6)8(5-14-10)9(13)4-12;11-6-1-2-7-8(9(13)4-12)5-14-10(7)3-6;;;;/h4-12,14,20,23-24H,13,15H2,1-3H3,(H,25,26);2-9,11-12,19-20H,10H2,1H3;2*4-7,13,17,19,21H,8H2,1-3H3,(H,18,20);2*4-7,12,18H,8,17H2,1-3H3,(H,19,20);2*1-3,5,9,14H,4,12-13H2;4*1H
• InChIKey: VQJWECDMWUALKU-UHFFFAOYSA-N
• XLogP: 28.63
• TPSA: 562.67 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2797.81
LogP ≤ 5	28.63
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	22

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-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride?

The IUPAC name of N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride (CID 158538080) is N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride.

What is the SMILES notation for N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride?

The canonical SMILES for N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride is CC(C)(C)OC(=O)NCC(N)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(N)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NCc1ccccc1)c1c[nH]c2ccccc12.CC(C)(C)OC(=O)NCC(NO)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(NO)c1c[nH]c2ccc(Br)cc12.CC(NCc1ccccc1)c1c[nH]c2ccc(Br)cc12.Cl.Cl.Cl.Cl.NCC(N)c1c[nH]c2cc(Br)ccc12.NCC(N)c1c[nH]c2ccc(Br)cc12.

What is the InChIKey of N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride?

The InChIKey is VQJWECDMWUALKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.C17H17BrN2.2C15H20BrN3O3.2C15H20BrN3O2.2C10H12BrN3.4ClH/c1-22(2,3)27-21(26)25-15-20(23-13-16-9-5-4-6-10-16)18-14-24-19-12-8-7-11-17(18)19;1-12(19-10-13-5-3-2-4-6-13)16-11-20-17-8-7-14(18)9-15(16)17;1-15(2,3)22-14(20)18-8-13(19-21)11-7-17-12-5-4-9(16)6-10(11)12;1-15(2,3)22-14(20)18-8-13(19-21)11-7-17-12-6-9(16)4-5-10(11)12;1-15(2,3)21-14(20)19-8-12(17)11-7-18-13-5-4-9(16)6-10(11)13;1-15(2,3)21-14(20)19-8-12(17)11-7-18-13-6-9(16)4-5-10(11)13;11-6-1-2-10-7(3-6)8(5-14-10)9(13)4-12;11-6-1-2-7-8(9(13)4-12)5-14-10(7)3-6;;;;/h4-12,14,20,23-24H,13,15H2,1-3H3,(H,25,26);2-9,11-12,19-20H,10H2,1H3;2*4-7,13,17,19,21H,8H2,1-3H3,(H,18,20);2*4-7,12,18H,8,17H2,1-3H3,(H,19,20);2*1-3,5,9,14H,4,12-13H2;4*1H.

What are the key properties of N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride?

N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride has a molecular weight of 2797.81 g/mol, XLogP of 28.63, 28 rotatable bonds, 25 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride is sourced from PubChem (CID 158538080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).