2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide

C8H14Br2N2O2 — CID 86775405

IUPAC2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide
SMILESBr.Br.NCCc1cc(O)c(N)cc1O
InChIInChI=1S/C8H12N2O2.2BrH/c9-2-1-5-3-8(12)6(10)4-7(5)11;;/h3-4,11-12H,1-2,9-10H2;2*1H
InChIKeyBJOHJBIGEJAXES-UHFFFAOYSA-N
MW330.02 g/mol
LogP1.34
Rot. Bonds2

About 2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide

2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide (PubChem CID 86775405) has the molecular formula C8H14Br2N2O2 and a molecular weight of 330.02 g/mol. Its IUPAC name is 2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide.

Molecular Properties

Compound Name2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide
PubChem CID86775405
Molecular FormulaC8H14Br2N2O2
Molecular Weight330.02 g/mol
Exact Mass327.94
IUPAC Name2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide
SMILESBr.Br.NCCc1cc(O)c(N)cc1O
InChIInChI=1S/C8H12N2O2.2BrH/c9-2-1-5-3-8(12)6(10)4-7(5)11;;/h3-4,11-12H,1-2,9-10H2;2*1H
InChIKeyBJOHJBIGEJAXES-UHFFFAOYSA-N
XLogP1.34
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.02
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide?
The IUPAC name of 2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide (CID 86775405) is 2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide.
What is the SMILES notation for 2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide?
The canonical SMILES for 2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide is Br.Br.NCCc1cc(O)c(N)cc1O.
What is the InChIKey of 2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide?
The InChIKey is BJOHJBIGEJAXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.2BrH/c9-2-1-5-3-8(12)6(10)4-7(5)11;;/h3-4,11-12H,1-2,9-10H2;2*1H.
What are the key properties of 2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide?
2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide has a molecular weight of 330.02 g/mol, XLogP of 1.34, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide is sourced from PubChem (CID 86775405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).