2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline

C14H13F3N2O2 — CID 144784348

IUPAC2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline
SMILESCc1cccc(OCc2c(N)cccc2OC(F)(F)F)n1
InChIInChI=1S/C14H13F3N2O2/c1-9-4-2-7-13(19-9)20-8-10-11(18)5-3-6-12(10)21-14(15,16)17/h2-7H,8,18H2,1H3
InChIKeyCLEPTHYWTDJJRX-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.45
Rot. Bonds4

About 2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline

2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline (PubChem CID 144784348) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline
PubChem CID144784348
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline
SMILESCc1cccc(OCc2c(N)cccc2OC(F)(F)F)n1
InChIInChI=1S/C14H13F3N2O2/c1-9-4-2-7-13(19-9)20-8-10-11(18)5-3-6-12(10)21-14(15,16)17/h2-7H,8,18H2,1H3
InChIKeyCLEPTHYWTDJJRX-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline (CID 144784348) is 2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline is Cc1cccc(OCc2c(N)cccc2OC(F)(F)F)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline?
The InChIKey is CLEPTHYWTDJJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-9-4-2-7-13(19-9)20-8-10-11(18)5-3-6-12(10)21-14(15,16)17/h2-7H,8,18H2,1H3.
What are the key properties of 2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline?
2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline has a molecular weight of 298.26 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 144784348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).