1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine

C10H13BrFNO — CID 117409447

IUPAC1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine
SMILESCONCc1c(C)c(C)cc(F)c1Br
InChIInChI=1S/C10H13BrFNO/c1-6-4-9(12)10(11)8(7(6)2)5-13-14-3/h4,13H,5H2,1-3H3
InChIKeySPRISIQWHYYNPR-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.86
Rot. Bonds3

About 1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine

1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine (PubChem CID 117409447) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine
PubChem CID117409447
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine
SMILESCONCc1c(C)c(C)cc(F)c1Br
InChIInChI=1S/C10H13BrFNO/c1-6-4-9(12)10(11)8(7(6)2)5-13-14-3/h4,13H,5H2,1-3H3
InChIKeySPRISIQWHYYNPR-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-3-fluoro-5,6-dimethylphenyl)methanol
CID 84696348
1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117452889
1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117323976
N-[(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117414317
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117331664
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine
CID 117292243
1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393
1-(2-bromo-3-methylphenyl)-N-methoxymethanamine
CID 117331823
1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine
CID 117288952
1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine
CID 117383021
1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117337458

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine (CID 117409447) is 1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine is CONCc1c(C)c(C)cc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine?
The InChIKey is SPRISIQWHYYNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-6-4-9(12)10(11)8(7(6)2)5-13-14-3/h4,13H,5H2,1-3H3.
What are the key properties of 1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine?
1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine has a molecular weight of 262.12 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117409447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).