N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine

C15H16BrFN2O — CID 83234578

IUPACN-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C15H16BrFN2O/c1-3-18-8-11-9-19-10(2)6-15(11)20-12-4-5-14(17)13(16)7-12/h4-7,9,18H,3,8H2,1-2H3
InChIKeySZBHLTPLFMJECU-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.19
Rot. Bonds5

About N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine

N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 83234578) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID83234578
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC NameN-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C15H16BrFN2O/c1-3-18-8-11-9-19-10(2)6-15(11)20-12-4-5-14(17)13(16)7-12/h4-7,9,18H,3,8H2,1-2H3
InChIKeySZBHLTPLFMJECU-UHFFFAOYSA-N
XLogP4.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-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

[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine
CID 83235153
N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81251160
N-[[4-(2-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81254110
N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81255357
N-[[2-(3-bromo-4-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391727
N-[[4-(4-chloro-3-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82718571
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81250354
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine
CID 114857494
N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 62073087
N-[[3-bromo-4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 102774021
N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81253885

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine (CID 83234578) is N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(C)cc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is SZBHLTPLFMJECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-3-18-8-11-9-19-10(2)6-15(11)20-12-4-5-14(17)13(16)7-12/h4-7,9,18H,3,8H2,1-2H3.
What are the key properties of N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine?
N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 339.21 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 83234578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).