[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine

C14H13F3N2O2 — CID 79874080

IUPAC[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOc1ccc(Oc2nc(C(F)(F)F)ccc2CN)cc1
InChIInChI=1S/C14H13F3N2O2/c1-20-10-3-5-11(6-4-10)21-13-9(8-18)2-7-12(19-13)14(15,16)17/h2-7H,8,18H2,1H3
InChIKeyLZXYZZGESRKGJX-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.36
Rot. Bonds4

About [2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 79874080) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is [2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID79874080
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOc1ccc(Oc2nc(C(F)(F)F)ccc2CN)cc1
InChIInChI=1S/C14H13F3N2O2/c1-20-10-3-5-11(6-4-10)21-13-9(8-18)2-7-12(19-13)14(15,16)17/h2-7H,8,18H2,1H3
InChIKeyLZXYZZGESRKGJX-UHFFFAOYSA-N
XLogP3.36
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869812
[2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 107283221
[2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874288
[2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873351
[2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 103176685
acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 171929343
[2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873485
[2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873264
[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 119054456
[2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873449
N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102739699
[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 126564818

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 79874080) is [2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine is COc1ccc(Oc2nc(C(F)(F)F)ccc2CN)cc1.
What is the InChIKey of [2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is LZXYZZGESRKGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-20-10-3-5-11(6-4-10)21-13-9(8-18)2-7-12(19-13)14(15,16)17/h2-7H,8,18H2,1H3.
What are the key properties of [2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 298.26 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 79874080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).