4-methoxyaniline;hydrobromide

C7H10BrNO — CID 518270

IUPAC4-methoxyaniline;hydrobromide
SMILESBr.COc1ccc(N)cc1
InChIInChI=1S/C7H9NO.BrH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H
InChIKeyRJMOZBXAFVSKRY-UHFFFAOYSA-N
MW204.07 g/mol
LogP1.86
Rot. Bonds1

About 4-methoxyaniline;hydrobromide

4-methoxyaniline;hydrobromide (PubChem CID 518270) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 4-methoxyaniline;hydrobromide.

Molecular Properties

Compound Name4-methoxyaniline;hydrobromide
PubChem CID518270
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name4-methoxyaniline;hydrobromide
SMILESBr.COc1ccc(N)cc1
InChIInChI=1S/C7H9NO.BrH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H
InChIKeyRJMOZBXAFVSKRY-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxyaniline;hydrobromide?
The IUPAC name of 4-methoxyaniline;hydrobromide (CID 518270) is 4-methoxyaniline;hydrobromide.
What is the SMILES notation for 4-methoxyaniline;hydrobromide?
The canonical SMILES for 4-methoxyaniline;hydrobromide is Br.COc1ccc(N)cc1.
What is the InChIKey of 4-methoxyaniline;hydrobromide?
The InChIKey is RJMOZBXAFVSKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.BrH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H.
What are the key properties of 4-methoxyaniline;hydrobromide?
4-methoxyaniline;hydrobromide has a molecular weight of 204.07 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyaniline;hydrobromide is sourced from PubChem (CID 518270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).