5-(2-bromophenoxy)-N-ethylpyridin-3-amine

C13H13BrN2O — CID 104536174

IUPAC5-(2-bromophenoxy)-N-ethylpyridin-3-amine
SMILESCCNc1cncc(Oc2ccccc2Br)c1
InChIInChI=1S/C13H13BrN2O/c1-2-16-10-7-11(9-15-8-10)17-13-6-4-3-5-12(13)14/h3-9,16H,2H2,1H3
InChIKeyHVXAZEVLDFHVNI-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.07
Rot. Bonds4

About 5-(2-bromophenoxy)-N-ethylpyridin-3-amine

5-(2-bromophenoxy)-N-ethylpyridin-3-amine (PubChem CID 104536174) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-(2-bromophenoxy)-N-ethylpyridin-3-amine.

Molecular Properties

Compound Name5-(2-bromophenoxy)-N-ethylpyridin-3-amine
PubChem CID104536174
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name5-(2-bromophenoxy)-N-ethylpyridin-3-amine
SMILESCCNc1cncc(Oc2ccccc2Br)c1
InChIInChI=1S/C13H13BrN2O/c1-2-16-10-7-11(9-15-8-10)17-13-6-4-3-5-12(13)14/h3-9,16H,2H2,1H3
InChIKeyHVXAZEVLDFHVNI-UHFFFAOYSA-N
XLogP4.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine
CID 104536313
N-ethyl-5-(2-iodophenoxy)pyridin-3-amine
CID 104536566
N-ethyl-5-(2-methylsulfanylphenoxy)pyridin-3-amine
CID 113424390
[2-[[5-(ethylamino)-3-pyridinyl]oxy]phenyl]methanol
CID 113424392
5-(2,5-difluorophenoxy)-N-ethylpyridin-3-amine
CID 104536808
N-ethyl-5-(4-methylphenoxy)pyridin-3-amine
CID 104536266
N-ethyl-5-quinolin-3-yloxypyridin-3-amine
CID 107388436
N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine
CID 104536114
N-ethyl-5-(3-iodophenoxy)pyridin-3-amine
CID 104536529
N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine
CID 107669687
N-ethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 104536364
3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile
CID 104537029

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenoxy)-N-ethylpyridin-3-amine?
The IUPAC name of 5-(2-bromophenoxy)-N-ethylpyridin-3-amine (CID 104536174) is 5-(2-bromophenoxy)-N-ethylpyridin-3-amine.
What is the SMILES notation for 5-(2-bromophenoxy)-N-ethylpyridin-3-amine?
The canonical SMILES for 5-(2-bromophenoxy)-N-ethylpyridin-3-amine is CCNc1cncc(Oc2ccccc2Br)c1.
What is the InChIKey of 5-(2-bromophenoxy)-N-ethylpyridin-3-amine?
The InChIKey is HVXAZEVLDFHVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-2-16-10-7-11(9-15-8-10)17-13-6-4-3-5-12(13)14/h3-9,16H,2H2,1H3.
What are the key properties of 5-(2-bromophenoxy)-N-ethylpyridin-3-amine?
5-(2-bromophenoxy)-N-ethylpyridin-3-amine has a molecular weight of 293.16 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenoxy)-N-ethylpyridin-3-amine is sourced from PubChem (CID 104536174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).