1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine

C14H15BrN2O — CID 83127027

IUPAC1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2ccccc2Br)cn1
InChIInChI=1S/C14H15BrN2O/c1-10(16-2)13-8-7-11(9-17-13)18-14-6-4-3-5-12(14)15/h3-10,16H,1-2H3
InChIKeyUOFXDYUONMXLBO-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.92
Rot. Bonds4

About 1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine

1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine (PubChem CID 83127027) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine
PubChem CID83127027
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2ccccc2Br)cn1
InChIInChI=1S/C14H15BrN2O/c1-10(16-2)13-8-7-11(9-17-13)18-14-6-4-3-5-12(14)15/h3-10,16H,1-2H3
InChIKeyUOFXDYUONMXLBO-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83126946
1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83123940
N-methyl-1-[5-(3-methyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83110471
1-[2-(2-bromophenoxy)phenyl]-N-methylethanamine
CID 43284837
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
CID 83127836
N-methyl-1-(5-propoxy-2-pyridinyl)ethanamine
CID 83124006
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine
CID 115939916
1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine
CID 62074641
N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83110470
N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83111227
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
CID 83125031

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine (CID 83127027) is 1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine is CNC(C)c1ccc(Oc2ccccc2Br)cn1.
What is the InChIKey of 1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine?
The InChIKey is UOFXDYUONMXLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10(16-2)13-8-7-11(9-17-13)18-14-6-4-3-5-12(14)15/h3-10,16H,1-2H3.
What are the key properties of 1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine?
1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine has a molecular weight of 307.19 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 83127027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).