N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine

C14H13BrCl2N2O — CID 62321494

IUPACN-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2ccc(Cl)cc2Br)c(Cl)c1
InChIInChI=1S/C14H13BrCl2N2O/c1-2-18-7-9-5-12(17)14(19-8-9)20-13-4-3-10(16)6-11(13)15/h3-6,8,18H,2,7H2,1H3
InChIKeyQXJMUNYUKNKEFO-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.05
Rot. Bonds5

About N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine

N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine (PubChem CID 62321494) has the molecular formula C14H13BrCl2N2O and a molecular weight of 376.08 g/mol. Its IUPAC name is N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
PubChem CID62321494
Molecular FormulaC14H13BrCl2N2O
Molecular Weight376.08 g/mol
Exact Mass373.96
IUPAC NameN-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2ccc(Cl)cc2Br)c(Cl)c1
InChIInChI=1S/C14H13BrCl2N2O/c1-2-18-7-9-5-12(17)14(19-8-9)20-13-4-3-10(16)6-11(13)15/h3-6,8,18H,2,7H2,1H3
InChIKeyQXJMUNYUKNKEFO-UHFFFAOYSA-N
XLogP5.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.08
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679
N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine
CID 43283476
N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine
CID 62298131
N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 107101217
N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 55058464
N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552010
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
N-[[4-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250588
N-[[3-(2-bromo-4-chlorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406870
[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
CID 64721323
6-(2-bromo-4-chlorophenoxy)-5-chloropyridin-3-amine
CID 114046372
N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine
CID 163278698

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine (CID 62321494) is N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(Oc2ccc(Cl)cc2Br)c(Cl)c1.
What is the InChIKey of N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine?
The InChIKey is QXJMUNYUKNKEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2O/c1-2-18-7-9-5-12(17)14(19-8-9)20-13-4-3-10(16)6-11(13)15/h3-6,8,18H,2,7H2,1H3.
What are the key properties of N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine?
N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine has a molecular weight of 376.08 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62321494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).