[2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine

C13H11F3N2O — CID 16781362

IUPAC[2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-3-1-2-4-11(10)19-12-7-9(8-17)5-6-18-12/h1-7H,8,17H2
InChIKeyAJQSGEUUHKBUSX-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.35
Rot. Bonds3

About [2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine

[2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine (PubChem CID 16781362) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is [2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine
PubChem CID16781362
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name[2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-3-1-2-4-11(10)19-12-7-9(8-17)5-6-18-12/h1-7H,8,17H2
InChIKeyAJQSGEUUHKBUSX-UHFFFAOYSA-N
XLogP3.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine?
The IUPAC name of [2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine (CID 16781362) is [2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine?
The canonical SMILES for [2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine is NCc1ccnc(Oc2ccccc2C(F)(F)F)c1.
What is the InChIKey of [2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine?
The InChIKey is AJQSGEUUHKBUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)10-3-1-2-4-11(10)19-12-7-9(8-17)5-6-18-12/h1-7H,8,17H2.
What are the key properties of [2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine?
[2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine has a molecular weight of 268.24 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 16781362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).