4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline

C14H21FN2O2 — CID 63592899

IUPAC4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline
SMILESCCOc1cc(OC2CCN(C)CC2)c(N)cc1F
InChIInChI=1S/C14H21FN2O2/c1-3-18-13-9-14(12(16)8-11(13)15)19-10-4-6-17(2)7-5-10/h8-10H,3-7,16H2,1-2H3
InChIKeyAMWSLTCRTUKJOJ-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.28
Rot. Bonds4

About 4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline

4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline (PubChem CID 63592899) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline
PubChem CID63592899
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline
SMILESCCOc1cc(OC2CCN(C)CC2)c(N)cc1F
InChIInChI=1S/C14H21FN2O2/c1-3-18-13-9-14(12(16)8-11(13)15)19-10-4-6-17(2)7-5-10/h8-10H,3-7,16H2,1-2H3
InChIKeyAMWSLTCRTUKJOJ-UHFFFAOYSA-N
XLogP2.28
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
2-cyclopropyloxy-5-ethyl-4-fluoroaniline
CID 161010618
4-ethoxy-5-fluoro-2-(4-methyl-1,4-diazepan-1-yl)aniline
CID 55217819
2-N-(1,3-dimethylpiperidin-4-yl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 114503017
4-fluoro-2-(1-methylazepan-4-yl)oxyaniline
CID 117095562
4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
CID 63593249
2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)aniline
CID 19627084
2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline
CID 102739879
4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol
CID 63592146
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
CID 63593955
2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline
CID 114340502
2-(3,4-dimethylpyrrolidin-1-yl)-4-ethoxy-5-fluoroaniline
CID 79189086

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline?
The IUPAC name of 4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline (CID 63592899) is 4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline?
The canonical SMILES for 4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline is CCOc1cc(OC2CCN(C)CC2)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline?
The InChIKey is AMWSLTCRTUKJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-18-13-9-14(12(16)8-11(13)15)19-10-4-6-17(2)7-5-10/h8-10H,3-7,16H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline?
4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline has a molecular weight of 268.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline is sourced from PubChem (CID 63592899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).