1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine

C15H17BrN2O2 — CID 104707911

IUPAC1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(Oc2ccc(OC)cc2Br)cn1
InChIInChI=1S/C15H17BrN2O2/c1-3-13(17)14-6-4-11(9-18-14)20-15-7-5-10(19-2)8-12(15)16/h4-9,13H,3,17H2,1-2H3
InChIKeyNYARKNWAJRIMMI-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.05
Rot. Bonds5

About 1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine

1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine (PubChem CID 104707911) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine
PubChem CID104707911
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(Oc2ccc(OC)cc2Br)cn1
InChIInChI=1S/C15H17BrN2O2/c1-3-13(17)14-6-4-11(9-18-14)20-15-7-5-10(19-2)8-12(15)16/h4-9,13H,3,17H2,1-2H3
InChIKeyNYARKNWAJRIMMI-UHFFFAOYSA-N
XLogP4.05
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 112584748
(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937813
(1S)-1-[5-(4-bromophenoxy)-2-pyridinyl]propan-1-amine
CID 103937759
(1R)-1-[5-(2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937883
(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol
CID 103939260
(1S)-1-[5-(3-bromo-5-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103938029
(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine
CID 103937797
(1S)-1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937870
1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83123280
(1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937752
(1R)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937751
(1S)-1-[5-(4-iodophenoxy)-2-pyridinyl]propan-1-amine
CID 103937836

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine (CID 104707911) is 1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(Oc2ccc(OC)cc2Br)cn1.
What is the InChIKey of 1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is NYARKNWAJRIMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-3-13(17)14-6-4-11(9-18-14)20-15-7-5-10(19-2)8-12(15)16/h4-9,13H,3,17H2,1-2H3.
What are the key properties of 1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine?
1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 337.22 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 104707911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).