2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide

C8H11Br2NO — CID 178200410

IUPAC2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide
SMILESBr.Cc1cc(CN)c(O)cc1Br
InChIInChI=1S/C8H10BrNO.BrH/c1-5-2-6(4-10)8(11)3-7(5)9;/h2-3,11H,4,10H2,1H3;1H
InChIKeyHTGHUOSLPWJBDG-UHFFFAOYSA-N
MW296.99 g/mol
LogP2.50
Rot. Bonds1

About 2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide

2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide (PubChem CID 178200410) has the molecular formula C8H11Br2NO and a molecular weight of 296.99 g/mol. Its IUPAC name is 2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide.

Molecular Properties

Compound Name2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide
PubChem CID178200410
Molecular FormulaC8H11Br2NO
Molecular Weight296.99 g/mol
Exact Mass294.92
IUPAC Name2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide
SMILESBr.Cc1cc(CN)c(O)cc1Br
InChIInChI=1S/C8H10BrNO.BrH/c1-5-2-6(4-10)8(11)3-7(5)9;/h2-3,11H,4,10H2,1H3;1H
InChIKeyHTGHUOSLPWJBDG-UHFFFAOYSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.99
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide?
The IUPAC name of 2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide (CID 178200410) is 2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide.
What is the SMILES notation for 2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide?
The canonical SMILES for 2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide is Br.Cc1cc(CN)c(O)cc1Br.
What is the InChIKey of 2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide?
The InChIKey is HTGHUOSLPWJBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO.BrH/c1-5-2-6(4-10)8(11)3-7(5)9;/h2-3,11H,4,10H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide?
2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide has a molecular weight of 296.99 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide is sourced from PubChem (CID 178200410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).