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

C13H12BrClN2O — CID 83123280

IUPAC1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C13H12BrClN2O/c1-8(16)12-4-3-10(7-17-12)18-13-5-2-9(15)6-11(13)14/h2-8H,16H2,1H3
InChIKeyVKWORIZREGAMCJ-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.31
Rot. Bonds3

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

1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine (PubChem CID 83123280) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine
PubChem CID83123280
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C13H12BrClN2O/c1-8(16)12-4-3-10(7-17-12)18-13-5-2-9(15)6-11(13)14/h2-8H,16H2,1H3
InChIKeyVKWORIZREGAMCJ-UHFFFAOYSA-N
XLogP4.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(5-bromo-2-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83124274
1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83123632
(1R)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanamine
CID 83123834
(1S)-1-[5-(5-bromo-2-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83123226
1-[5-(2,4,5-trichlorophenoxy)-2-pyridinyl]ethanamine
CID 83127680
(1S)-1-[5-(3-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83127697
1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine
CID 83127520
1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 104707911
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127673
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938373
(1R)-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127768
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
CID 83125031

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine (CID 83123280) is 1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine is CC(N)c1ccc(Oc2ccc(Cl)cc2Br)cn1.
What is the InChIKey of 1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine?
The InChIKey is VKWORIZREGAMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-8(16)12-4-3-10(7-17-12)18-13-5-2-9(15)6-11(13)14/h2-8H,16H2,1H3.
What are the key properties of 1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine?
1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine has a molecular weight of 327.61 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).