N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline

C13H11F3N2O — CID 54593529

IUPACN-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESCNc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C13H11F3N2O/c1-17-10-3-5-11(6-4-10)19-12-7-2-9(8-18-12)13(14,15)16/h2-8,17H,1H3
InChIKeyAMPKCSDOQIIDTD-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.93
Rot. Bonds3

About N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline

N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline (PubChem CID 54593529) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline.

Molecular Properties

Compound NameN-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
PubChem CID54593529
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC NameN-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESCNc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C13H11F3N2O/c1-17-10-3-5-11(6-4-10)19-12-7-2-9(8-18-12)13(14,15)16/h2-8,17H,1H3
InChIKeyAMPKCSDOQIIDTD-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine
CID 894657
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
CID 99771190
2-[4-[(5-nitro-2-pyridinyl)oxy]phenoxy]-5-(trifluoromethyl)pyridine
CID 2741453
2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 119878544
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 12878239
5-tert-butyl-2-(4-fluorophenoxy)pyridine
CID 69192638
(4-acetylphenyl) 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 27873697
N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
CID 61027206

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The IUPAC name of N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline (CID 54593529) is N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline.
What is the SMILES notation for N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The canonical SMILES for N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline is CNc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The InChIKey is AMPKCSDOQIIDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-17-10-3-5-11(6-4-10)19-12-7-2-9(8-18-12)13(14,15)16/h2-8,17H,1H3.
What are the key properties of N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline has a molecular weight of 268.24 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline is sourced from PubChem (CID 54593529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).