2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline

C11H15FN2O — CID 144694376

IUPAC2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline
SMILES[H]/N=C(\C)c1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C11H15FN2O/c1-6(2)15-11-4-8(7(3)13)10(14)5-9(11)12/h4-6,13H,14H2,1-3H3/b13-7+
InChIKeyFGKRKOCYTTVKCO-NTUHNPAUSA-N
MW210.25 g/mol
LogP2.58
Rot. Bonds3

About 2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline

2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline (PubChem CID 144694376) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline
PubChem CID144694376
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline
SMILES[H]/N=C(\C)c1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C11H15FN2O/c1-6(2)15-11-4-8(7(3)13)10(14)5-9(11)12/h4-6,13H,14H2,1-3H3/b13-7+
InChIKeyFGKRKOCYTTVKCO-NTUHNPAUSA-N
XLogP2.58
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592378
2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63594228
5-fluoro-2-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 130372423
2-[6-(4-cyclopropylpiperazin-1-yl)pyrimidine-4-carboximidoyl]-5-fluoro-4-propan-2-yloxyaniline
CID 123529164
(3R)-1-[6-(2-amino-4-fluoro-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 144694583
1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592276
2-(2,4-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593349
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
1-[6-(2-amino-4-fluoro-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine
CID 130372431
5-fluoro-2-[6-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123315243
4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline
CID 164565649
3-[4-[6-(2-amino-4-fluoro-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol
CID 123564339

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline?
The IUPAC name of 2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline (CID 144694376) is 2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline?
The canonical SMILES for 2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline is [H]/N=C(\C)c1cc(OC(C)C)c(F)cc1N.
What is the InChIKey of 2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline?
The InChIKey is FGKRKOCYTTVKCO-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-6(2)15-11-4-8(7(3)13)10(14)5-9(11)12/h4-6,13H,14H2,1-3H3/b13-7+.
What are the key properties of 2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline?
2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline has a molecular weight of 210.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline is sourced from PubChem (CID 144694376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).