1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine

C8H9BrFNO — CID 63374229

IUPAC1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine
SMILESCONCC1=C(C=CC(=C1)F)Br
InChIInChI=1S/C8H9BrFNO/c1-12-11-5-6-4-7(10)2-3-8(6)9/h2-4,11H,5H2,1H3
InChIKeySFOOZXGMDGLBNS-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.10
Rot. Bonds3

About 1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine

1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine (PubChem CID 63374229) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine
PubChem CID63374229
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine
SMILESCONCC1=C(C=CC(=C1)F)Br
InChIInChI=1S/C8H9BrFNO/c1-12-11-5-6-4-7(10)2-3-8(6)9/h2-4,11H,5H2,1H3
InChIKeySFOOZXGMDGLBNS-UHFFFAOYSA-N
XLogP2.10
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity136

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine (CID 63374229) is 1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine is CONCC1=C(C=CC(=C1)F)Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine?
The InChIKey is SFOOZXGMDGLBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-12-11-5-6-4-7(10)2-3-8(6)9/h2-4,11H,5H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine?
1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine has a molecular weight of 234.07 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-methoxymethanamine is sourced from PubChem (CID 63374229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).