2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline

C14H13F3N2O — CID 83118159

IUPAC2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
SMILESCC(Nc1ccccc1OC(F)F)c1ccc(F)cn1
InChIInChI=1S/C14H13F3N2O/c1-9(11-7-6-10(15)8-18-11)19-12-4-2-3-5-13(12)20-14(16)17/h2-9,14,19H,1H3
InChIKeyYTJRNGPYAZYSHX-UHFFFAOYSA-N
MW282.27 g/mol
LogP4.00
Rot. Bonds5

About 2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline

2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline (PubChem CID 83118159) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
PubChem CID83118159
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
SMILESCC(Nc1ccccc1OC(F)F)c1ccc(F)cn1
InChIInChI=1S/C14H13F3N2O/c1-9(11-7-6-10(15)8-18-11)19-12-4-2-3-5-13(12)20-14(16)17/h2-9,14,19H,1H3
InChIKeyYTJRNGPYAZYSHX-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide
CID 83119346
2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988333
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline
CID 83119202
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 83119087
5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol
CID 107705148
2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118233
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline
CID 43100384
3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline
CID 83117200
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863
2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43096414

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline (CID 83118159) is 2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline is CC(Nc1ccccc1OC(F)F)c1ccc(F)cn1.
What is the InChIKey of 2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The InChIKey is YTJRNGPYAZYSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-9(11-7-6-10(15)8-18-11)19-12-4-2-3-5-13(12)20-14(16)17/h2-9,14,19H,1H3.
What are the key properties of 2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline has a molecular weight of 282.27 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline is sourced from PubChem (CID 83118159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).