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

C14H14BrClN2O — CID 81251297

IUPACN-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C14H14BrClN2O/c1-2-17-8-10-9-18-6-5-13(10)19-14-4-3-11(15)7-12(14)16/h3-7,9,17H,2,8H2,1H3
InChIKeyUSJXPTYOBXWAGJ-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.40
Rot. Bonds5

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

N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 81251297) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID81251297
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC NameN-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C14H14BrClN2O/c1-2-17-8-10-9-18-6-5-13(10)19-14-4-3-11(15)7-12(14)16/h3-7,9,17H,2,8H2,1H3
InChIKeyUSJXPTYOBXWAGJ-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250588
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679
N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 116690059
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523
N-[[3-(2,4,5-trichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075180
N-[[4-(4-bromo-2-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 63550708
N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62672744
N-[[4-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81254245
N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250422
N-[[4-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254059
N-[[3-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075441
N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075462

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine (CID 81251297) is N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cnccc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is USJXPTYOBXWAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-2-17-8-10-9-18-6-5-13(10)19-14-4-3-11(15)7-12(14)16/h3-7,9,17H,2,8H2,1H3.
What are the key properties of N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 341.64 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81251297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).