5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline

C15H16BrFN2O2 — CID 103482976

IUPAC5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
SMILESCOc1c(C)cnc(COc2cc(F)c(Br)cc2N)c1C
InChIInChI=1S/C15H16BrFN2O2/c1-8-6-19-13(9(2)15(8)20-3)7-21-14-5-11(17)10(16)4-12(14)18/h4-6H,7,18H2,1-3H3
InChIKeyOJCYQXJQJKHROH-UHFFFAOYSA-N
MW355.21 g/mol
LogP3.77
Rot. Bonds4

About 5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline

5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline (PubChem CID 103482976) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
PubChem CID103482976
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
SMILESCOc1c(C)cnc(COc2cc(F)c(Br)cc2N)c1C
InChIInChI=1S/C15H16BrFN2O2/c1-8-6-19-13(9(2)15(8)20-3)7-21-14-5-11(17)10(16)4-12(14)18/h4-6H,7,18H2,1-3H3
InChIKeyOJCYQXJQJKHROH-UHFFFAOYSA-N
XLogP3.77
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline
CID 103483032
3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
CID 62110783
[5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 28981665
5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline
CID 103483039
2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 107698932
2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 115956836
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 43324923
5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline
CID 103482967
1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 114894511
2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 60905899
2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 28992033
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79163828

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline?
The IUPAC name of 5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline (CID 103482976) is 5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline is COc1c(C)cnc(COc2cc(F)c(Br)cc2N)c1C.
What is the InChIKey of 5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline?
The InChIKey is OJCYQXJQJKHROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c1-8-6-19-13(9(2)15(8)20-3)7-21-14-5-11(17)10(16)4-12(14)18/h4-6H,7,18H2,1-3H3.
What are the key properties of 5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline?
5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline has a molecular weight of 355.21 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline is sourced from PubChem (CID 103482976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).