[5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium

C10H16BrN2O2+ — CID 163411660

IUPAC[5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium
SMILESCC(C)(C)Nc1ccc(Br)cc1[NH+](O)O
InChIInChI=1S/C10H15BrN2O2/c1-10(2,3)12-8-5-4-7(11)6-9(8)13(14)15/h4-6,12,14-15H,1-3H3/p+1
InChIKeyAAZYJWFMGQQZGQ-UHFFFAOYSA-O
MW276.15 g/mol
LogP1.95
Rot. Bonds2

About [5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium

[5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium (PubChem CID 163411660) has the molecular formula C10H16BrN2O2+ and a molecular weight of 276.15 g/mol. Its IUPAC name is [5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium.

Molecular Properties

Compound Name[5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium
PubChem CID163411660
Molecular FormulaC10H16BrN2O2+
Molecular Weight276.15 g/mol
Exact Mass275.04
IUPAC Name[5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium
SMILESCC(C)(C)Nc1ccc(Br)cc1[NH+](O)O
InChIInChI=1S/C10H15BrN2O2/c1-10(2,3)12-8-5-4-7(11)6-9(8)13(14)15/h4-6,12,14-15H,1-3H3/p+1
InChIKeyAAZYJWFMGQQZGQ-UHFFFAOYSA-O
XLogP1.95
TPSA56.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 51.95
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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Related Compounds

4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine
CID 163411661
5-bromo-N-tert-butyl-2-propan-2-ylaniline
CID 135318709
4-bromo-2-(tert-butylamino)benzenecarboximidamide
CID 114904558
3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide
CID 60851334
3-[(4-bromo-2-chloroanilino)methyl]pentan-3-ol
CID 114492781
2,4-dibromo-N-(3-methylbut-2-enyl)aniline
CID 107899791
N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide
CID 109217034
N-(4-bromo-2-methylphenyl)-2-(tert-butylamino)pyridine-4-carboxamide
CID 109175040
N-(4-bromo-2-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239464
3-[(2,4-dibromoanilino)methyl]pentan-3-ol
CID 114492916
1-(2,5-dibromoanilino)butan-2-ol
CID 61467144
3-(4-bromo-2-nitroanilino)-2,3-dimethylbutan-2-ol
CID 103952450

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium?
The IUPAC name of [5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium (CID 163411660) is [5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium.
What is the SMILES notation for [5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium?
The canonical SMILES for [5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium is CC(C)(C)Nc1ccc(Br)cc1[NH+](O)O.
What is the InChIKey of [5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium?
The InChIKey is AAZYJWFMGQQZGQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15BrN2O2/c1-10(2,3)12-8-5-4-7(11)6-9(8)13(14)15/h4-6,12,14-15H,1-3H3/p+1.
What are the key properties of [5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium?
[5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium has a molecular weight of 276.15 g/mol, XLogP of 1.95, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium is sourced from PubChem (CID 163411660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).