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

C7H10BrNO2 — CID 21390124

IUPAC2-(aminomethyl)benzene-1,4-diol;hydrobromide
SMILESBr.NCc1cc(O)ccc1O
InChIInChI=1S/C7H9NO2.BrH/c8-4-5-3-6(9)1-2-7(5)10;/h1-3,9-10H,4,8H2;1H
InChIKeyPARYNNFLWWDBQG-UHFFFAOYSA-N
MW220.07 g/mol
LogP1.13
Rot. Bonds1

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

2-(aminomethyl)benzene-1,4-diol;hydrobromide (PubChem CID 21390124) has the molecular formula C7H10BrNO2 and a molecular weight of 220.07 g/mol. Its IUPAC name is 2-(aminomethyl)benzene-1,4-diol;hydrobromide.

Molecular Properties

Compound Name2-(aminomethyl)benzene-1,4-diol;hydrobromide
PubChem CID21390124
Molecular FormulaC7H10BrNO2
Molecular Weight220.07 g/mol
Exact Mass218.99
IUPAC Name2-(aminomethyl)benzene-1,4-diol;hydrobromide
SMILESBr.NCc1cc(O)ccc1O
InChIInChI=1S/C7H9NO2.BrH/c8-4-5-3-6(9)1-2-7(5)10;/h1-3,9-10H,4,8H2;1H
InChIKeyPARYNNFLWWDBQG-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': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)benzene-1,4-diol;hydrobromide?
The IUPAC name of 2-(aminomethyl)benzene-1,4-diol;hydrobromide (CID 21390124) is 2-(aminomethyl)benzene-1,4-diol;hydrobromide.
What is the SMILES notation for 2-(aminomethyl)benzene-1,4-diol;hydrobromide?
The canonical SMILES for 2-(aminomethyl)benzene-1,4-diol;hydrobromide is Br.NCc1cc(O)ccc1O.
What is the InChIKey of 2-(aminomethyl)benzene-1,4-diol;hydrobromide?
The InChIKey is PARYNNFLWWDBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.BrH/c8-4-5-3-6(9)1-2-7(5)10;/h1-3,9-10H,4,8H2;1H.
What are the key properties of 2-(aminomethyl)benzene-1,4-diol;hydrobromide?
2-(aminomethyl)benzene-1,4-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 2-(aminomethyl)benzene-1,4-diol;hydrobromide is sourced from PubChem (CID 21390124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).