4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine

C13H12BrFN2O — CID 113368173

IUPAC4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine
SMILESCCNc1cc(Oc2cc(F)cc(Br)c2)ccn1
InChIInChI=1S/C13H12BrFN2O/c1-2-16-13-8-11(3-4-17-13)18-12-6-9(14)5-10(15)7-12/h3-8H,2H2,1H3,(H,16,17)
InChIKeyMLGWZFUOFICEJH-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.21
Rot. Bonds4

About 4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine

4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine (PubChem CID 113368173) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine
PubChem CID113368173
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine
SMILESCCNc1cc(Oc2cc(F)cc(Br)c2)ccn1
InChIInChI=1S/C13H12BrFN2O/c1-2-16-13-8-11(3-4-17-13)18-12-6-9(14)5-10(15)7-12/h3-8H,2H2,1H3,(H,16,17)
InChIKeyMLGWZFUOFICEJH-UHFFFAOYSA-N
XLogP4.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine
CID 107102586
methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate
CID 81332451
N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 81326230
4-(3-bromo-5-fluorophenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 81314804
N-[[4-(3,5-difluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62786202
3-(3-bromo-5-fluorophenoxy)-N-ethyl-5-nitroaniline
CID 81314543
3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine
CID 106875367
1-[3-(3-bromo-5-fluorophenoxy)phenyl]-N-ethylethanamine
CID 81331400
6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine
CID 81325494
N-[4-(3-fluorophenoxy)-2-pyridinyl]acetamide
CID 141205782
N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105075842
(1S)-1-[5-(3-bromo-5-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103938029

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine?
The IUPAC name of 4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine (CID 113368173) is 4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine?
The canonical SMILES for 4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine is CCNc1cc(Oc2cc(F)cc(Br)c2)ccn1.
What is the InChIKey of 4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine?
The InChIKey is MLGWZFUOFICEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-2-16-13-8-11(3-4-17-13)18-12-6-9(14)5-10(15)7-12/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine?
4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine has a molecular weight of 311.15 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine is sourced from PubChem (CID 113368173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).