5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine

C14H14BrFN2O2 — CID 104923949

IUPAC5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
SMILESCOc1ccc(CNc2ncc(Br)cc2F)c(OC)c1
InChIInChI=1S/C14H14BrFN2O2/c1-19-11-4-3-9(13(6-11)20-2)7-17-14-12(16)5-10(15)8-18-14/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyNULGLWMGZZHOQT-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.61
Rot. Bonds5

About 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine

5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine (PubChem CID 104923949) has the molecular formula C14H14BrFN2O2 and a molecular weight of 341.18 g/mol. Its IUPAC name is 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
PubChem CID104923949
Molecular FormulaC14H14BrFN2O2
Molecular Weight341.18 g/mol
Exact Mass340.02
IUPAC Name5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
SMILESCOc1ccc(CNc2ncc(Br)cc2F)c(OC)c1
InChIInChI=1S/C14H14BrFN2O2/c1-19-11-4-3-9(13(6-11)20-2)7-17-14-12(16)5-10(15)8-18-14/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyNULGLWMGZZHOQT-UHFFFAOYSA-N
XLogP3.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline
CID 65470060
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80829199
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
2-bromo-3-fluoro-4-methoxypyridine;N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 167698309
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80906951
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 107633034
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine (CID 104923949) is 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine is COc1ccc(CNc2ncc(Br)cc2F)c(OC)c1.
What is the InChIKey of 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine?
The InChIKey is NULGLWMGZZHOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2/c1-19-11-4-3-9(13(6-11)20-2)7-17-14-12(16)5-10(15)8-18-14/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine?
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine has a molecular weight of 341.18 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 104923949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).