4-(aminomethyl)-3-iodophenol;hydrobromide

C7H9BrINO — CID 170918240

IUPAC4-(aminomethyl)-3-iodophenol;hydrobromide
SMILESBr.NCc1ccc(O)cc1I
InChIInChI=1S/C7H8INO.BrH/c8-7-3-6(10)2-1-5(7)4-9;/h1-3,10H,4,9H2;1H
InChIKeyBJNSWDFWQONHAI-UHFFFAOYSA-N
MW329.96 g/mol
LogP2.03
Rot. Bonds1

About 4-(aminomethyl)-3-iodophenol;hydrobromide

4-(aminomethyl)-3-iodophenol;hydrobromide (PubChem CID 170918240) has the molecular formula C7H9BrINO and a molecular weight of 329.96 g/mol. Its IUPAC name is 4-(aminomethyl)-3-iodophenol;hydrobromide.

Molecular Properties

Compound Name4-(aminomethyl)-3-iodophenol;hydrobromide
PubChem CID170918240
Molecular FormulaC7H9BrINO
Molecular Weight329.96 g/mol
Exact Mass328.89
IUPAC Name4-(aminomethyl)-3-iodophenol;hydrobromide
SMILESBr.NCc1ccc(O)cc1I
InChIInChI=1S/C7H8INO.BrH/c8-7-3-6(10)2-1-5(7)4-9;/h1-3,10H,4,9H2;1H
InChIKeyBJNSWDFWQONHAI-UHFFFAOYSA-N
XLogP2.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.96
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Dihydroxybenzylamine
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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-iodophenol;hydrobromide?
The IUPAC name of 4-(aminomethyl)-3-iodophenol;hydrobromide (CID 170918240) is 4-(aminomethyl)-3-iodophenol;hydrobromide.
What is the SMILES notation for 4-(aminomethyl)-3-iodophenol;hydrobromide?
The canonical SMILES for 4-(aminomethyl)-3-iodophenol;hydrobromide is Br.NCc1ccc(O)cc1I.
What is the InChIKey of 4-(aminomethyl)-3-iodophenol;hydrobromide?
The InChIKey is BJNSWDFWQONHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO.BrH/c8-7-3-6(10)2-1-5(7)4-9;/h1-3,10H,4,9H2;1H.
What are the key properties of 4-(aminomethyl)-3-iodophenol;hydrobromide?
4-(aminomethyl)-3-iodophenol;hydrobromide has a molecular weight of 329.96 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-iodophenol;hydrobromide is sourced from PubChem (CID 170918240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).