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

C7H10BrNO2 — CID 13343562

IUPAC4-(aminomethyl)benzene-1,2-diol;hydrobromide
SMILESBr.NCc1ccc(O)c(O)c1
InChIInChI=1S/C7H9NO2.BrH/c8-4-5-1-2-6(9)7(10)3-5;/h1-3,9-10H,4,8H2;1H
InChIKeyBVFZTXFCZAXSHN-UHFFFAOYSA-N
MW220.07 g/mol
LogP1.13
Rot. Bonds1

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

4-(aminomethyl)benzene-1,2-diol;hydrobromide (PubChem CID 13343562) has the molecular formula C7H10BrNO2 and a molecular weight of 220.07 g/mol. Its IUPAC name is 4-(aminomethyl)benzene-1,2-diol;hydrobromide.

Molecular Properties

Compound Name4-(aminomethyl)benzene-1,2-diol;hydrobromide
PubChem CID13343562
Molecular FormulaC7H10BrNO2
Molecular Weight220.07 g/mol
Exact Mass218.99
IUPAC Name4-(aminomethyl)benzene-1,2-diol;hydrobromide
SMILESBr.NCc1ccc(O)c(O)c1
InChIInChI=1S/C7H9NO2.BrH/c8-4-5-1-2-6(9)7(10)3-5;/h1-3,9-10H,4,8H2;1H
InChIKeyBVFZTXFCZAXSHN-UHFFFAOYSA-N
XLogP1.13
TPSA66.48 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 ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)benzene-1,2-diol;hydrobromide?
The IUPAC name of 4-(aminomethyl)benzene-1,2-diol;hydrobromide (CID 13343562) is 4-(aminomethyl)benzene-1,2-diol;hydrobromide.
What is the SMILES notation for 4-(aminomethyl)benzene-1,2-diol;hydrobromide?
The canonical SMILES for 4-(aminomethyl)benzene-1,2-diol;hydrobromide is Br.NCc1ccc(O)c(O)c1.
What is the InChIKey of 4-(aminomethyl)benzene-1,2-diol;hydrobromide?
The InChIKey is BVFZTXFCZAXSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.BrH/c8-4-5-1-2-6(9)7(10)3-5;/h1-3,9-10H,4,8H2;1H.
What are the key properties of 4-(aminomethyl)benzene-1,2-diol;hydrobromide?
4-(aminomethyl)benzene-1,2-diol;hydrobromide has a molecular weight of 220.07 g/mol, XLogP of 1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)benzene-1,2-diol;hydrobromide is sourced from PubChem (CID 13343562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).