2-(methylamino)benzene-1,4-diol;hydrobromide

C7H10BrNO2 — CID 3015616

IUPAC2-(methylamino)benzene-1,4-diol;hydrobromide
SMILESBr.CNc1cc(O)ccc1O
InChIInChI=1S/C7H9NO2.BrH/c1-8-6-4-5(9)2-3-7(6)10;/h2-4,8-10H,1H3;1H
InChIKeySOBGIHOHRDUYNY-UHFFFAOYSA-N
MW220.07 g/mol
LogP1.72
Rot. Bonds1

About 2-(methylamino)benzene-1,4-diol;hydrobromide

2-(methylamino)benzene-1,4-diol;hydrobromide (PubChem CID 3015616) has the molecular formula C7H10BrNO2 and a molecular weight of 220.07 g/mol. Its IUPAC name is 2-(methylamino)benzene-1,4-diol;hydrobromide.

Molecular Properties

Compound Name2-(methylamino)benzene-1,4-diol;hydrobromide
PubChem CID3015616
Molecular FormulaC7H10BrNO2
Molecular Weight220.07 g/mol
Exact Mass218.99
IUPAC Name2-(methylamino)benzene-1,4-diol;hydrobromide
SMILESBr.CNc1cc(O)ccc1O
InChIInChI=1S/C7H9NO2.BrH/c1-8-6-4-5(9)2-3-7(6)10;/h2-4,8-10H,1H3;1H
InChIKeySOBGIHOHRDUYNY-UHFFFAOYSA-N
XLogP1.72
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

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Aminohydroquinone
CID 3017497
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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)benzene-1,4-diol;hydrobromide?
The IUPAC name of 2-(methylamino)benzene-1,4-diol;hydrobromide (CID 3015616) is 2-(methylamino)benzene-1,4-diol;hydrobromide.
What is the SMILES notation for 2-(methylamino)benzene-1,4-diol;hydrobromide?
The canonical SMILES for 2-(methylamino)benzene-1,4-diol;hydrobromide is Br.CNc1cc(O)ccc1O.
What is the InChIKey of 2-(methylamino)benzene-1,4-diol;hydrobromide?
The InChIKey is SOBGIHOHRDUYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.BrH/c1-8-6-4-5(9)2-3-7(6)10;/h2-4,8-10H,1H3;1H.
What are the key properties of 2-(methylamino)benzene-1,4-diol;hydrobromide?
2-(methylamino)benzene-1,4-diol;hydrobromide has a molecular weight of 220.07 g/mol, XLogP of 1.72, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)benzene-1,4-diol;hydrobromide is sourced from PubChem (CID 3015616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).