N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine

C14H14BrFN2O — CID 81326230

IUPACN-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C14H14BrFN2O/c1-2-17-9-10-3-4-18-14(5-10)19-13-7-11(15)6-12(16)8-13/h3-8,17H,2,9H2,1H3
InChIKeyGPJOKDUBVYTXIS-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.88
Rot. Bonds5

About N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine

N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 81326230) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID81326230
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC NameN-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C14H14BrFN2O/c1-2-17-9-10-3-4-18-14(5-10)19-13-7-11(15)6-12(16)8-13/h3-8,17H,2,9H2,1H3
InChIKeyGPJOKDUBVYTXIS-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

Analyze N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2,5-difluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 63272898
(1R)-1-[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]ethanol
CID 81331652
N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine
CID 81325689
N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 104708297
N-[[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 83234738
N-[[2-(4-bromo-2-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 115402661
N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296075
4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine
CID 113368173
2-(3-bromo-5-fluorophenoxy)pyridine
CID 81332605
N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine
CID 106533485
N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83195724
N-[[4-(3,5-difluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62786202

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine (CID 81326230) is N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(Oc2cc(F)cc(Br)c2)c1.
What is the InChIKey of N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is GPJOKDUBVYTXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-2-17-9-10-3-4-18-14(5-10)19-13-7-11(15)6-12(16)8-13/h3-8,17H,2,9H2,1H3.
What are the key properties of N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[2-(3-bromo-5-fluorophenoxy)-4-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-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81326230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).