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

C13H11BrCl2N2O — CID 107658732

IUPAC1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine
SMILESCC(N)c1ccnc(Oc2cc(Cl)c(Br)cc2Cl)c1
InChIInChI=1S/C13H11BrCl2N2O/c1-7(17)8-2-3-18-13(4-8)19-12-6-10(15)9(14)5-11(12)16/h2-7H,17H2,1H3
InChIKeyIPAWMUBKJYSGCD-UHFFFAOYSA-N
MW362.05 g/mol
LogP4.96
Rot. Bonds3

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

1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine (PubChem CID 107658732) has the molecular formula C13H11BrCl2N2O and a molecular weight of 362.05 g/mol. Its IUPAC name is 1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine
PubChem CID107658732
Molecular FormulaC13H11BrCl2N2O
Molecular Weight362.05 g/mol
Exact Mass359.94
IUPAC Name1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine
SMILESCC(N)c1ccnc(Oc2cc(Cl)c(Br)cc2Cl)c1
InChIInChI=1S/C13H11BrCl2N2O/c1-7(17)8-2-3-18-13(4-8)19-12-6-10(15)9(14)5-11(12)16/h2-7H,17H2,1H3
InChIKeyIPAWMUBKJYSGCD-UHFFFAOYSA-N
XLogP4.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 54.96
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-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 116689319
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 104940722
2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine
CID 107660062
1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine
CID 107099915
1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol
CID 107659083
(1R)-1-[3-bromo-4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 78944496
2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine
CID 107655311
(1R)-1-(2-quinolin-5-yloxy-4-pyridinyl)ethanamine
CID 103044967
1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine
CID 162524387
(1S)-1-[2-(3-bromo-5-nitrophenoxy)-4-pyridinyl]ethanamine
CID 103588811
4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine
CID 107657822
(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659040

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine?
The IUPAC name of 1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine (CID 107658732) is 1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine.
What is the SMILES notation for 1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine?
The canonical SMILES for 1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine is CC(N)c1ccnc(Oc2cc(Cl)c(Br)cc2Cl)c1.
What is the InChIKey of 1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine?
The InChIKey is IPAWMUBKJYSGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O/c1-7(17)8-2-3-18-13(4-8)19-12-6-10(15)9(14)5-11(12)16/h2-7H,17H2,1H3.
What are the key properties of 1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine?
1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine has a molecular weight of 362.05 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine is sourced from PubChem (CID 107658732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).