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

C15H17BrN2O2 — CID 104708297

IUPACN-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2ccc(OC)cc2Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-3-17-10-11-6-7-18-15(8-11)20-14-5-4-12(19-2)9-13(14)16/h4-9,17H,3,10H2,1-2H3
InChIKeyCZFMRSLUGNVLLL-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.75
Rot. Bonds6

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

N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 104708297) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID104708297
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC NameN-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2ccc(OC)cc2Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-3-17-10-11-6-7-18-15(8-11)20-14-5-4-12(19-2)9-13(14)16/h4-9,17H,3,10H2,1-2H3
InChIKeyCZFMRSLUGNVLLL-UHFFFAOYSA-N
XLogP3.75
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine
CID 104707882
N-[[2-(4-bromo-2-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 115402661
N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62321836
N-[[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 83234738
N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297828
N-[[2-(2,5-difluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 63272898
N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 81326230
N-[[2-(2-bromo-4-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322021
N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297631
N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297790
N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62323489
2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide
CID 104707813

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine (CID 104708297) is N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(Oc2ccc(OC)cc2Br)c1.
What is the InChIKey of N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is CZFMRSLUGNVLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-3-17-10-11-6-7-18-15(8-11)20-14-5-4-12(19-2)9-13(14)16/h4-9,17H,3,10H2,1-2H3.
What are the key properties of N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 337.22 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 104708297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).