N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate

C118H135Br6N15O16 — CID 160524584

IUPACN-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate
SMILESCC(C)(C)OC(=O)NCC(c1c[nH]c2cc(Br)ccc12)N(O)C(=O)OC(C)(C)C.CC(NCc1ccccc1)c1c[nH]c2ccc(Br)cc12.CC(c1c[nH]c2cc(Br)ccc12)N(O)Cc1ccccc1.COc1ccc(/C=[N+](\[O-])C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc(CN(O)C(C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C23H28BrN3O4.C23H26BrN3O4.C20H28BrN3O5.C18H19BrN2O2.C17H17BrN2O.C17H17BrN2/c2*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;1-19(2,3)28-17(25)23-11-16(24(27)18(26)29-20(4,5)6)14-10-22-15-9-12(21)7-8-13(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)16-10-19-17-9-14(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/h5-12,21,25,29H,13-14H2,1-4H3,(H,26,28);5-12,14,21,25H,13H2,1-4H3,(H,26,28);7-10,16,22,27H,11H2,1-6H3,(H,23,25);3-10,12,20,22H,11H2,1-2H3;2-10,12,19,21H,11H2,1H3;2-9,11-12,19-20H,10H2,1H3/b;27-14-;;;;
InChIKeyQUSLNPZKCGKARX-BUEHOGQYSA-N
MW2498.89 g/mol
LogP30.21
Rot. Bonds30

About N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-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-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate (PubChem CID 160524584) has the molecular formula C118H135Br6N15O16 and a molecular weight of 2498.89 g/mol. Its IUPAC name is N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate.

Molecular Properties

Compound NameN-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate
PubChem CID160524584
Molecular FormulaC118H135Br6N15O16
Molecular Weight2498.89 g/mol
Exact Mass2491.53
IUPAC NameN-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate
SMILESCC(C)(C)OC(=O)NCC(c1c[nH]c2cc(Br)ccc12)N(O)C(=O)OC(C)(C)C.CC(NCc1ccccc1)c1c[nH]c2ccc(Br)cc12.CC(c1c[nH]c2cc(Br)ccc12)N(O)Cc1ccccc1.COc1ccc(/C=[N+](\[O-])C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc(CN(O)C(C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C23H28BrN3O4.C23H26BrN3O4.C20H28BrN3O5.C18H19BrN2O2.C17H17BrN2O.C17H17BrN2/c2*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;1-19(2,3)28-17(25)23-11-16(24(27)18(26)29-20(4,5)6)14-10-22-15-9-12(21)7-8-13(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)16-10-19-17-9-14(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/h5-12,21,25,29H,13-14H2,1-4H3,(H,26,28);5-12,14,21,25H,13H2,1-4H3,(H,26,28);7-10,16,22,27H,11H2,1-6H3,(H,23,25);3-10,12,20,22H,11H2,1-2H3;2-10,12,19,21H,11H2,1H3;2-9,11-12,19-20H,10H2,1H3/b;27-14-;;;;
InChIKeyQUSLNPZKCGKARX-BUEHOGQYSA-N
XLogP30.21
TPSA395.70 Ų
H-Bond Donors14
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002498.89
LogP ≤ 530.21
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate with MolForge

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Related Compounds

tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate
CID 25005715
N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide
CID 25006455
N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide
CID 74386679
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
N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;tert-butyl N-[2-(benzylamino)-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 157262726
N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-phenylmethanimine oxide;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(hydroxyamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate
CID 157424324
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 157713551
N-[1-(5-bromo-1H-indol-3-yl)ethyl]-1-phenylmethanimine oxide;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-phenylmethanimine oxide;N-[1-(5-bromo-1H-indol-3-yl)propyl]-1-phenylmethanimine oxide
CID 157844145
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
tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate
CID 158629978
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;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 158689070
tert-butyl N-[2-(benzylamino)-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 158697118

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-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-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate (CID 160524584) is N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-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-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-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-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-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)C(=O)OC(C)(C)C.CC(NCc1ccccc1)c1c[nH]c2ccc(Br)cc12.CC(c1c[nH]c2cc(Br)ccc12)N(O)Cc1ccccc1.COc1ccc(/C=[N+](\[O-])C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc(CN(O)C(C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc(CN(O)C(CNC(=O)OC(C)(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-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate?
The InChIKey is QUSLNPZKCGKARX-BUEHOGQYSA-N. The full InChI is InChI=1S/C23H28BrN3O4.C23H26BrN3O4.C20H28BrN3O5.C18H19BrN2O2.C17H17BrN2O.C17H17BrN2/c2*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;1-19(2,3)28-17(25)23-11-16(24(27)18(26)29-20(4,5)6)14-10-22-15-9-12(21)7-8-13(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)16-10-19-17-9-14(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/h5-12,21,25,29H,13-14H2,1-4H3,(H,26,28);5-12,14,21,25H,13H2,1-4H3,(H,26,28);7-10,16,22,27H,11H2,1-6H3,(H,23,25);3-10,12,20,22H,11H2,1-2H3;2-10,12,19,21H,11H2,1H3;2-9,11-12,19-20H,10H2,1H3/b;27-14-;;;;.
What are the key properties of N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;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;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-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-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate has a molecular weight of 2498.89 g/mol, XLogP of 30.21, 30 rotatable bonds, 14 hydrogen bond donors, and 20 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-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate is sourced from PubChem (CID 160524584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).