3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine

C14H14BrFN2O — CID 106877436

IUPAC3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
SMILESCCOc1ccc(Nc2nccc(C)c2Br)cc1F
InChIInChI=1S/C14H14BrFN2O/c1-3-19-12-5-4-10(8-11(12)16)18-14-13(15)9(2)6-7-17-14/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyIQNDPEPFCCGRNU-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.43
Rot. Bonds4

About 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine

3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine (PubChem CID 106877436) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
PubChem CID106877436
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
SMILESCCOc1ccc(Nc2nccc(C)c2Br)cc1F
InChIInChI=1S/C14H14BrFN2O/c1-3-19-12-5-4-10(8-11(12)16)18-14-13(15)9(2)6-7-17-14/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyIQNDPEPFCCGRNU-UHFFFAOYSA-N
XLogP4.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine
CID 113399696
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine
CID 112699315
6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine
CID 113399791
3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine
CID 106876946
N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine
CID 106579931
N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine
CID 106579930
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione
CID 106876452
3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine
CID 103078820
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 113399790

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine (CID 106877436) is 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine is CCOc1ccc(Nc2nccc(C)c2Br)cc1F.
What is the InChIKey of 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine?
The InChIKey is IQNDPEPFCCGRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-3-19-12-5-4-10(8-11(12)16)18-14-13(15)9(2)6-7-17-14/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine?
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine has a molecular weight of 325.18 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 106877436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).