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

C14H12BrClF2N2O — CID 107101217

IUPACN-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cc(Br)cc(F)c2F)c(Cl)c1
InChIInChI=1S/C14H12BrClF2N2O/c1-2-19-6-8-3-10(16)14(20-7-8)21-12-5-9(15)4-11(17)13(12)18/h3-5,7,19H,2,6H2,1H3
InChIKeyUIXXERWJFDTGSO-UHFFFAOYSA-N
MW377.62 g/mol
LogP4.68
Rot. Bonds5

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

N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine (PubChem CID 107101217) has the molecular formula C14H12BrClF2N2O and a molecular weight of 377.62 g/mol. Its IUPAC name is N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
PubChem CID107101217
Molecular FormulaC14H12BrClF2N2O
Molecular Weight377.62 g/mol
Exact Mass375.98
IUPAC NameN-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cc(Br)cc(F)c2F)c(Cl)c1
InChIInChI=1S/C14H12BrClF2N2O/c1-2-19-6-8-3-10(16)14(20-7-8)21-12-5-9(15)4-11(17)13(12)18/h3-5,7,19H,2,6H2,1H3
InChIKeyUIXXERWJFDTGSO-UHFFFAOYSA-N
XLogP4.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.62
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-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-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679
N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321494
N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 55058464
N-[[3-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 107101981
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 106597984
N-[[6-(3-chloro-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 116689576
[6-(4-bromo-2-fluorophenoxy)-5-chloro-3-pyridinyl]methanol
CID 61257547
N-[[5-(5-bromo-2,3-difluorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 107101107
N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine
CID 62298131
N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine
CID 163278698
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358

Frequently Asked Questions

What is the IUPAC name of N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine (CID 107101217) is N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(Oc2cc(Br)cc(F)c2F)c(Cl)c1.
What is the InChIKey of N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine?
The InChIKey is UIXXERWJFDTGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClF2N2O/c1-2-19-6-8-3-10(16)14(20-7-8)21-12-5-9(15)4-11(17)13(12)18/h3-5,7,19H,2,6H2,1H3.
What are the key properties of N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine?
N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine has a molecular weight of 377.62 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 107101217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).