3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline

C14H14BrFN2O2 — CID 82891772

IUPAC3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
SMILESCOc1cc(C)nc(COc2c(N)cc(F)cc2Br)c1
InChIInChI=1S/C14H14BrFN2O2/c1-8-3-11(19-2)6-10(18-8)7-20-14-12(15)4-9(16)5-13(14)17/h3-6H,7,17H2,1-2H3
InChIKeyXHYUTYYCRWYBFW-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.46
Rot. Bonds4

About 3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline

3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline (PubChem CID 82891772) has the molecular formula C14H14BrFN2O2 and a molecular weight of 341.18 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
PubChem CID82891772
Molecular FormulaC14H14BrFN2O2
Molecular Weight341.18 g/mol
Exact Mass340.02
IUPAC Name3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
SMILESCOc1cc(C)nc(COc2c(N)cc(F)cc2Br)c1
InChIInChI=1S/C14H14BrFN2O2/c1-8-3-11(19-2)6-10(18-8)7-20-14-12(15)4-9(16)5-13(14)17/h3-6H,7,17H2,1-2H3
InChIKeyXHYUTYYCRWYBFW-UHFFFAOYSA-N
XLogP3.46
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline with MolForge

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Related Compounds

3-bromo-5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 43379351
3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline
CID 43379359
2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 83133204
5-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891995
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine
CID 115956685
3-bromo-5-fluoro-2-[(4-methylphenyl)methoxy]aniline
CID 43379387
O-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82893104
3-bromo-2-[(3,4-dimethoxyphenyl)methoxy]-5-fluoroaniline
CID 43379349
2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 115962306
2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107076898
2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888898
[2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 82891533

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline?
The IUPAC name of 3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline (CID 82891772) is 3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline.
What is the SMILES notation for 3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline?
The canonical SMILES for 3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline is COc1cc(C)nc(COc2c(N)cc(F)cc2Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline?
The InChIKey is XHYUTYYCRWYBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2/c1-8-3-11(19-2)6-10(18-8)7-20-14-12(15)4-9(16)5-13(14)17/h3-6H,7,17H2,1-2H3.
What are the key properties of 3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline?
3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline has a molecular weight of 341.18 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline is sourced from PubChem (CID 82891772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).