[4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine

C14H13F3N2O2 — CID 106504792

IUPAC[4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(Oc2ccc(CN)cc2C(F)(F)F)nc1
InChIInChI=1S/C14H13F3N2O2/c1-20-10-3-5-13(19-8-10)21-12-4-2-9(7-18)6-11(12)14(15,16)17/h2-6,8H,7,18H2,1H3
InChIKeyWPCUETBRNRSUHQ-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.36
Rot. Bonds4

About [4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine

[4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 106504792) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is [4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine
PubChem CID106504792
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name[4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(Oc2ccc(CN)cc2C(F)(F)F)nc1
InChIInChI=1S/C14H13F3N2O2/c1-20-10-3-5-13(19-8-10)21-12-4-2-9(7-18)6-11(12)14(15,16)17/h2-6,8H,7,18H2,1H3
InChIKeyWPCUETBRNRSUHQ-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

[6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 16786203
[4-pyridin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468298
[4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468319
[4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
CID 106550477
[4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468322
[4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468310
[4-(3-ethoxypropoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 65175971
[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine
CID 155289861
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 16776346
[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 63319742
2-[(5-methoxy-2-pyridinyl)oxy]-5-methylaniline
CID 106504321
4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline
CID 106504339

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine (CID 106504792) is [4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine is COc1ccc(Oc2ccc(CN)cc2C(F)(F)F)nc1.
What is the InChIKey of [4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WPCUETBRNRSUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-20-10-3-5-13(19-8-10)21-12-4-2-9(7-18)6-11(12)14(15,16)17/h2-6,8H,7,18H2,1H3.
What are the key properties of [4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine?
[4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]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 [4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 106504792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).