1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine

C9H10BrF2NO2 — CID 117452889

IUPAC1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1c(F)cc(OC)c(Br)c1F
InChIInChI=1S/C9H10BrF2NO2/c1-14-7-3-6(11)5(4-13-15-2)9(12)8(7)10/h3,13H,4H2,1-2H3
InChIKeyMKJPSPIKNNUXMA-UHFFFAOYSA-N
MW282.08 g/mol
LogP2.39
Rot. Bonds4

About 1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine

1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine (PubChem CID 117452889) has the molecular formula C9H10BrF2NO2 and a molecular weight of 282.08 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine
PubChem CID117452889
Molecular FormulaC9H10BrF2NO2
Molecular Weight282.08 g/mol
Exact Mass280.99
IUPAC Name1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1c(F)cc(OC)c(Br)c1F
InChIInChI=1S/C9H10BrF2NO2/c1-14-7-3-6(11)5(4-13-15-2)9(12)8(7)10/h3,13H,4H2,1-2H3
InChIKeyMKJPSPIKNNUXMA-UHFFFAOYSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117337458
2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol
CID 117420943
3-(3-bromo-2,6-difluoro-4-methoxyphenyl)propanal
CID 117447245
1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117409447
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
2-amino-3-(3-bromo-2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117494622
1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine
CID 117404014
1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine
CID 117491265
1-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117499022
1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393
1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313541
4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol
CID 117293074

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine (CID 117452889) is 1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine is CONCc1c(F)cc(OC)c(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine?
The InChIKey is MKJPSPIKNNUXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO2/c1-14-7-3-6(11)5(4-13-15-2)9(12)8(7)10/h3,13H,4H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine?
1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine has a molecular weight of 282.08 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117452889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).