N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine

C14H12F4N2O — CID 103290176

IUPACN-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine
SMILESCCNc1cc(COc2c(F)c(F)cc(F)c2F)ccn1
InChIInChI=1S/C14H12F4N2O/c1-2-19-11-5-8(3-4-20-11)7-21-14-12(17)9(15)6-10(16)13(14)18/h3-6H,2,7H2,1H3,(H,19,20)
InChIKeyAPXSFUDWIJXDCE-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.65
Rot. Bonds5

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

N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine (PubChem CID 103290176) has the molecular formula C14H12F4N2O and a molecular weight of 300.26 g/mol. Its IUPAC name is N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine
PubChem CID103290176
Molecular FormulaC14H12F4N2O
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC NameN-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine
SMILESCCNc1cc(COc2c(F)c(F)cc(F)c2F)ccn1
InChIInChI=1S/C14H12F4N2O/c1-2-19-11-5-8(3-4-20-11)7-21-14-12(17)9(15)6-10(16)13(14)18/h3-6H,2,7H2,1H3,(H,19,20)
InChIKeyAPXSFUDWIJXDCE-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62466550
4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 116689918
4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62465294
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 107725685
4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile
CID 62465648
4-[(2-chloro-5-methylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62466198
4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62786008
N-ethyl-4-(oxan-4-yloxymethyl)pyridin-2-amine
CID 62464799
1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene
CID 112769771
4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine
CID 107102586
3-[2-(ethylamino)-4-pyridinyl]propan-1-ol
CID 57075658
4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62465810

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine (CID 103290176) is N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine is CCNc1cc(COc2c(F)c(F)cc(F)c2F)ccn1.
What is the InChIKey of N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine?
The InChIKey is APXSFUDWIJXDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c1-2-19-11-5-8(3-4-20-11)7-21-14-12(17)9(15)6-10(16)13(14)18/h3-6H,2,7H2,1H3,(H,19,20).
What are the key properties of N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine?
N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine has a molecular weight of 300.26 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 103290176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).