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

C14H13BrClFN2O — CID 63878321

IUPACN-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13BrClFN2O/c1-2-18-7-9-5-10(15)8-19-14(9)20-11-3-4-13(17)12(16)6-11/h3-6,8,18H,2,7H2,1H3
InChIKeyLSNRCJKPBCPOJW-UHFFFAOYSA-N
MW359.63 g/mol
LogP4.54
Rot. Bonds5

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

N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 63878321) has the molecular formula C14H13BrClFN2O and a molecular weight of 359.63 g/mol. Its IUPAC name is N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID63878321
Molecular FormulaC14H13BrClFN2O
Molecular Weight359.63 g/mol
Exact Mass357.99
IUPAC NameN-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13BrClFN2O/c1-2-18-7-9-5-10(15)8-19-14(9)20-11-3-4-13(17)12(16)6-11/h3-6,8,18H,2,7H2,1H3
InChIKeyLSNRCJKPBCPOJW-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-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-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

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine (CID 63878321) is N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cc(Br)cnc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is LSNRCJKPBCPOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2O/c1-2-18-7-9-5-10(15)8-19-14(9)20-11-3-4-13(17)12(16)6-11/h3-6,8,18H,2,7H2,1H3.
What are the key properties of N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-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-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 63878321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).