4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide

C11H19BrN2O2 — CID 90678000

IUPAC4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide
SMILESBr.CC(N)C(C)(C)c1cc(O)c(O)cc1N
InChIInChI=1S/C11H18N2O2.BrH/c1-6(12)11(2,3)7-4-9(14)10(15)5-8(7)13;/h4-6,14-15H,12-13H2,1-3H3;1H
InChIKeyIKTMIFUGIZGLEE-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.88
Rot. Bonds2

About 4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide

4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide (PubChem CID 90678000) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide.

Molecular Properties

Compound Name4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide
PubChem CID90678000
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide
SMILESBr.CC(N)C(C)(C)c1cc(O)c(O)cc1N
InChIInChI=1S/C11H18N2O2.BrH/c1-6(12)11(2,3)7-4-9(14)10(15)5-8(7)13;/h4-6,14-15H,12-13H2,1-3H3;1H
InChIKeyIKTMIFUGIZGLEE-UHFFFAOYSA-N
XLogP1.88
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide?
The IUPAC name of 4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide (CID 90678000) is 4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide.
What is the SMILES notation for 4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide?
The canonical SMILES for 4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide is Br.CC(N)C(C)(C)c1cc(O)c(O)cc1N.
What is the InChIKey of 4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide?
The InChIKey is IKTMIFUGIZGLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.BrH/c1-6(12)11(2,3)7-4-9(14)10(15)5-8(7)13;/h4-6,14-15H,12-13H2,1-3H3;1H.
What are the key properties of 4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide?
4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide has a molecular weight of 291.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-amino-2-methylbutan-2-yl)benzene-1,2-diol;hydrobromide is sourced from PubChem (CID 90678000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).