2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine

C14H12F4N2O — CID 133370569

IUPAC2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine
SMILESCc1ccc(OCCNc2c(F)c(F)nc(F)c2F)cc1
InChIInChI=1S/C14H12F4N2O/c1-8-2-4-9(5-3-8)21-7-6-19-12-10(15)13(17)20-14(18)11(12)16/h2-5H,6-7H2,1H3,(H,19,20)
InChIKeyDTPNJMSXYPCCTP-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.44
Rot. Bonds5

About 2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine (PubChem CID 133370569) has the molecular formula C14H12F4N2O and a molecular weight of 300.26 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine
PubChem CID133370569
Molecular FormulaC14H12F4N2O
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC Name2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine
SMILESCc1ccc(OCCNc2c(F)c(F)nc(F)c2F)cc1
InChIInChI=1S/C14H12F4N2O/c1-8-2-4-9(5-3-8)21-7-6-19-12-10(15)13(17)20-14(18)11(12)16/h2-5H,6-7H2,1H3,(H,19,20)
InChIKeyDTPNJMSXYPCCTP-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 133372468
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54798215
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline
CID 82096625
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
4-methoxy-N-[3-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethoxy]phenyl]benzamide
CID 133372618
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
3,4-difluoro-N-[3-(4-methylphenoxy)propyl]aniline
CID 82096628
4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 55590956
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine (CID 133370569) is 2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine is Cc1ccc(OCCNc2c(F)c(F)nc(F)c2F)cc1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine?
The InChIKey is DTPNJMSXYPCCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c1-8-2-4-9(5-3-8)21-7-6-19-12-10(15)13(17)20-14(18)11(12)16/h2-5H,6-7H2,1H3,(H,19,20).
What are the key properties of 2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine has a molecular weight of 300.26 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine is sourced from PubChem (CID 133370569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).