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

C14H13F3N2O2 — CID 103568205

IUPAC[3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
SMILESCOc1cc(CN)cc(Oc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O2/c1-20-10-5-9(8-18)6-11(7-10)21-13-12(14(15,16)17)3-2-4-19-13/h2-7H,8,18H2,1H3
InChIKeyHXPHTOFIDZTPRB-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.36
Rot. Bonds4

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

[3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine (PubChem CID 103568205) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is [3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
PubChem CID103568205
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name[3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
SMILESCOc1cc(CN)cc(Oc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O2/c1-20-10-5-9(8-18)6-11(7-10)21-13-12(14(15,16)17)3-2-4-19-13/h2-7H,8,18H2,1H3
InChIKeyHXPHTOFIDZTPRB-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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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The IUPAC name of [3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine (CID 103568205) is [3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine.
What is the SMILES notation for [3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The canonical SMILES for [3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine is COc1cc(CN)cc(Oc2ncccc2C(F)(F)F)c1.
What is the InChIKey of [3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The InChIKey is HXPHTOFIDZTPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-20-10-5-9(8-18)6-11(7-10)21-13-12(14(15,16)17)3-2-4-19-13/h2-7H,8,18H2,1H3.
What are the key properties of [3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
[3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]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 [3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine is sourced from PubChem (CID 103568205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).