N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine

C14H13BrClFN2O — CID 81325689

IUPACN-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(Oc2cc(F)cc(Br)c2)ccc1Cl
InChIInChI=1S/C14H13BrClFN2O/c1-2-18-8-13-12(16)3-4-14(19-13)20-11-6-9(15)5-10(17)7-11/h3-7,18H,2,8H2,1H3
InChIKeyAVSRWFREDHNWFC-UHFFFAOYSA-N
MW359.63 g/mol
LogP4.54
Rot. Bonds5

About N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine

N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine (PubChem CID 81325689) has the molecular formula C14H13BrClFN2O and a molecular weight of 359.63 g/mol. Its IUPAC name is N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine
PubChem CID81325689
Molecular FormulaC14H13BrClFN2O
Molecular Weight359.63 g/mol
Exact Mass357.99
IUPAC NameN-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(Oc2cc(F)cc(Br)c2)ccc1Cl
InChIInChI=1S/C14H13BrClFN2O/c1-2-18-8-13-12(16)3-4-14(19-13)20-11-6-9(15)5-10(17)7-11/h3-7,18H,2,8H2,1H3
InChIKeyAVSRWFREDHNWFC-UHFFFAOYSA-N
XLogP4.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55058553
N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 63487984
N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295705
N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 81326230
N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine
CID 62291644
N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 81326466
4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine
CID 81332258
N-[[3-chloro-6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62297317
N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
CID 62321632
N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296779
N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83195724
1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62297032

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine (CID 81325689) is N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine is CCNCc1nc(Oc2cc(F)cc(Br)c2)ccc1Cl.
What is the InChIKey of N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine?
The InChIKey is AVSRWFREDHNWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2O/c1-2-18-8-13-12(16)3-4-14(19-13)20-11-6-9(15)5-10(17)7-11/h3-7,18H,2,8H2,1H3.
What are the key properties of N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine?
N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine has a molecular weight of 359.63 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81325689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).