4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine

C10H15BrN2O2 — CID 163411661

IUPAC4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine
SMILESCC(C)(C)Nc1ccc(Br)cc1N(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
InChIKeyAAZYJWFMGQQZGQ-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.24
Rot. Bonds2

About 4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine

4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine (PubChem CID 163411661) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine
PubChem CID163411661
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine
SMILESCC(C)(C)Nc1ccc(Br)cc1N(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
InChIKeyAAZYJWFMGQQZGQ-UHFFFAOYSA-N
XLogP3.24
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3-(4-bromo-2-nitroanilino)-3-methylbutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine (CID 163411661) is 4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine is CC(C)(C)Nc1ccc(Br)cc1N(O)O.
What is the InChIKey of 4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine?
The InChIKey is AAZYJWFMGQQZGQ-UHFFFAOYSA-N. 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.
What are the key properties of 4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine?
4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine has a molecular weight of 275.15 g/mol, XLogP of 3.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine is sourced from PubChem (CID 163411661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).