1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine

C9H11BrFNO2 — CID 117414396

IUPAC1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(OC)cc(Br)c1F
InChIInChI=1S/C9H11BrFNO2/c1-13-7-3-6(5-12-14-2)9(11)8(10)4-7/h3-4,12H,5H2,1-2H3
InChIKeyQHKYOFHGCHQWLW-UHFFFAOYSA-N
MW264.09 g/mol
LogP2.25
Rot. Bonds4

About 1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine

1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine (PubChem CID 117414396) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine
PubChem CID117414396
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(OC)cc(Br)c1F
InChIInChI=1S/C9H11BrFNO2/c1-13-7-3-6(5-12-14-2)9(11)8(10)4-7/h3-4,12H,5H2,1-2H3
InChIKeyQHKYOFHGCHQWLW-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 52.25
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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Related Compounds

1-(3-bromo-2-fluoro-5-methylphenyl)-N-methoxymethanamine
CID 117372708
1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine
CID 117383021
1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine
CID 117424940
1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393
N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine
CID 117301686
2-tert-butyl-4-methoxy-6-[(methoxyamino)methyl]phenol
CID 117351450
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117330350
1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine
CID 117289981
N-methoxy-1-(2,3,5-trifluoro-4-methylsulfanylphenyl)methanamine
CID 117346251
1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117291369
1-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-N-methoxymethanamine
CID 117330353
1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117441818

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine (CID 117414396) is 1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine is CONCc1cc(OC)cc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine?
The InChIKey is QHKYOFHGCHQWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-13-7-3-6(5-12-14-2)9(11)8(10)4-7/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine?
1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine has a molecular weight of 264.09 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117414396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).