N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine

C14H12F3IN2O — CID 102719878

IUPACN-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(Oc2ccc(I)cc2)n1
InChIInChI=1S/C14H12F3IN2O/c1-2-19-12-7-9(14(15,16)17)8-13(20-12)21-11-5-3-10(18)4-6-11/h3-8H,2H2,1H3,(H,19,20)
InChIKeyAMZFWAIXEZEKFY-UHFFFAOYSA-N
MW408.16 g/mol
LogP4.93
Rot. Bonds4

About N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine

N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719878) has the molecular formula C14H12F3IN2O and a molecular weight of 408.16 g/mol. Its IUPAC name is N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719878
Molecular FormulaC14H12F3IN2O
Molecular Weight408.16 g/mol
Exact Mass407.99
IUPAC NameN-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(Oc2ccc(I)cc2)n1
InChIInChI=1S/C14H12F3IN2O/c1-2-19-12-7-9(14(15,16)17)8-13(20-12)21-11-5-3-10(18)4-6-11/h3-8H,2H2,1H3,(H,19,20)
InChIKeyAMZFWAIXEZEKFY-UHFFFAOYSA-N
XLogP4.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.16
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-chlorophenoxy)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719846
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
CID 102719643
[6-(4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721247
[6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721265
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874519
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719983
N-ethyl-6-(2-methylcyclohexyl)oxy-4-(trifluoromethyl)pyridin-2-amine
CID 102719705
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716647
2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine
CID 80966565
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719676

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719878) is N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(Oc2ccc(I)cc2)n1.
What is the InChIKey of N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AMZFWAIXEZEKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3IN2O/c1-2-19-12-7-9(14(15,16)17)8-13(20-12)21-11-5-3-10(18)4-6-11/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 408.16 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).