1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine

C15H15BrCl2N2O — CID 107658714

IUPAC1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cc(Cl)c(Br)cc2Cl)cn1
InChIInChI=1S/C15H15BrCl2N2O/c1-3-19-9(2)14-5-4-10(8-20-14)21-15-7-12(17)11(16)6-13(15)18/h4-9,19H,3H2,1-2H3
InChIKeyJSXUDEWHDJRWPA-UHFFFAOYSA-N
MW390.11 g/mol
LogP5.61
Rot. Bonds5

About 1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine

1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine (PubChem CID 107658714) has the molecular formula C15H15BrCl2N2O and a molecular weight of 390.11 g/mol. Its IUPAC name is 1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine
PubChem CID107658714
Molecular FormulaC15H15BrCl2N2O
Molecular Weight390.11 g/mol
Exact Mass387.97
IUPAC Name1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cc(Cl)c(Br)cc2Cl)cn1
InChIInChI=1S/C15H15BrCl2N2O/c1-3-19-9(2)14-5-4-10(8-20-14)21-15-7-12(17)11(16)6-13(15)18/h4-9,19H,3H2,1-2H3
InChIKeyJSXUDEWHDJRWPA-UHFFFAOYSA-N
XLogP5.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.11
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83126946
N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83111420
1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83124110
N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83111971
1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83128091
N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83128001
N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine
CID 102982283
1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
CID 115940035
1-[5-(2,4,5-trichlorophenoxy)-2-pyridinyl]ethanamine
CID 83127680
N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 107169528
3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline
CID 83111619
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine?
The IUPAC name of 1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine (CID 107658714) is 1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine is CCNC(C)c1ccc(Oc2cc(Cl)c(Br)cc2Cl)cn1.
What is the InChIKey of 1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine?
The InChIKey is JSXUDEWHDJRWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrCl2N2O/c1-3-19-9(2)14-5-4-10(8-20-14)21-15-7-12(17)11(16)6-13(15)18/h4-9,19H,3H2,1-2H3.
What are the key properties of 1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine?
1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine has a molecular weight of 390.11 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine is sourced from PubChem (CID 107658714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).