N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine

C14H14BrFN2O — CID 106533485

IUPACN-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(Oc2cncc(Br)c2)c1
InChIInChI=1S/C14H14BrFN2O/c1-2-17-7-10-3-12(16)6-13(4-10)19-14-5-11(15)8-18-9-14/h3-6,8-9,17H,2,7H2,1H3
InChIKeyVEDIBCNYNUTTOS-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.88
Rot. Bonds5

About N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine

N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine (PubChem CID 106533485) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine
PubChem CID106533485
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC NameN-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(Oc2cncc(Br)c2)c1
InChIInChI=1S/C14H14BrFN2O/c1-2-17-7-10-3-12(16)6-13(4-10)19-14-5-11(15)8-18-9-14/h3-6,8-9,17H,2,7H2,1H3
InChIKeyVEDIBCNYNUTTOS-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 107101981
N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533327
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine
CID 106533487
N-[[3-(4-ethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533297
N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 114674259
N-[[3-[(5-bromo-3-pyridinyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457738
1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469602
N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 81326230
N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533262
N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 104796407
N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine
CID 106533418
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine (CID 106533485) is N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)cc(Oc2cncc(Br)c2)c1.
What is the InChIKey of N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine?
The InChIKey is VEDIBCNYNUTTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-2-17-7-10-3-12(16)6-13(4-10)19-14-5-11(15)8-18-9-14/h3-6,8-9,17H,2,7H2,1H3.
What are the key properties of N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine?
N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine has a molecular weight of 325.18 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 106533485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).