N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine

C14H14BrFN2O — CID 114674259

IUPACN-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(Oc2cc(Br)ccc2F)c1
InChIInChI=1S/C14H14BrFN2O/c1-2-17-7-10-5-12(9-18-8-10)19-14-6-11(15)3-4-13(14)16/h3-6,8-9,17H,2,7H2,1H3
InChIKeyHCYUFKZDHZJYPQ-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.88
Rot. Bonds5

About N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine

N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 114674259) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID114674259
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC NameN-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(Oc2cc(Br)ccc2F)c1
InChIInChI=1S/C14H14BrFN2O/c1-2-17-7-10-5-12(9-18-8-10)19-14-6-11(15)3-4-13(14)16/h3-6,8-9,17H,2,7H2,1H3
InChIKeyHCYUFKZDHZJYPQ-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-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 114674391
N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 114674405
N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine
CID 106533485
N-[[3-[(5-bromo-3-pyridinyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457738
5-(2,5-difluorophenoxy)-N-ethylpyridin-3-amine
CID 104536808
N-[[3-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 107101981
N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43283217
1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
CID 114673855
4-(5-bromo-2-fluorophenoxy)-N-ethylpyridine-2-carboxamide
CID 114673379
N-[[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 114676831
[3-bromo-5-(5-bromo-2-fluorophenoxy)phenyl]methanamine
CID 102814762
N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 107101217

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine (CID 114674259) is N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(Oc2cc(Br)ccc2F)c1.
What is the InChIKey of N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is HCYUFKZDHZJYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-2-17-7-10-5-12(9-18-8-10)19-14-6-11(15)3-4-13(14)16/h3-6,8-9,17H,2,7H2,1H3.
What are the key properties of N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]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-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114674259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).