N-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride

C10H14BrCl2N3O — CID 25006836

IUPACN-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride
SMILESCl.Cl.NCC(NO)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C10H12BrN3O.2ClH/c11-6-1-2-7-8(10(4-12)14-15)5-13-9(7)3-6;;/h1-3,5,10,13-15H,4,12H2;2*1H
InChIKeyBXUUXZARCKWJNI-UHFFFAOYSA-N
MW343.05 g/mol
LogP2.75
Rot. Bonds3

About N-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride

N-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride (PubChem CID 25006836) has the molecular formula C10H14BrCl2N3O and a molecular weight of 343.05 g/mol. Its IUPAC name is N-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride.

Molecular Properties

Compound NameN-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride
PubChem CID25006836
Molecular FormulaC10H14BrCl2N3O
Molecular Weight343.05 g/mol
Exact Mass340.97
IUPAC NameN-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride
SMILESCl.Cl.NCC(NO)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C10H12BrN3O.2ClH/c11-6-1-2-7-8(10(4-12)14-15)5-13-9(7)3-6;;/h1-3,5,10,13-15H,4,12H2;2*1H
InChIKeyBXUUXZARCKWJNI-UHFFFAOYSA-N
XLogP2.75
TPSA74.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.05
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride?
The IUPAC name of N-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride (CID 25006836) is N-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride.
What is the SMILES notation for N-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride?
The canonical SMILES for N-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride is Cl.Cl.NCC(NO)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of N-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride?
The InChIKey is BXUUXZARCKWJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O.2ClH/c11-6-1-2-7-8(10(4-12)14-15)5-13-9(7)3-6;;/h1-3,5,10,13-15H,4,12H2;2*1H.
What are the key properties of N-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride?
N-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride has a molecular weight of 343.05 g/mol, XLogP of 2.75, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride is sourced from PubChem (CID 25006836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).