2-cyclohexyloxy-4-ethoxy-5-fluoroaniline

C14H20FNO2 — CID 63594138

IUPAC2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(OC2CCCCC2)c(N)cc1F
InChIInChI=1S/C14H20FNO2/c1-2-17-13-9-14(12(16)8-11(13)15)18-10-6-4-3-5-7-10/h8-10H,2-7,16H2,1H3
InChIKeyTWUZHQLKPXPOFL-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.52
Rot. Bonds4

About 2-cyclohexyloxy-4-ethoxy-5-fluoroaniline

2-cyclohexyloxy-4-ethoxy-5-fluoroaniline (PubChem CID 63594138) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-cyclohexyloxy-4-ethoxy-5-fluoroaniline.

Molecular Properties

Compound Name2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
PubChem CID63594138
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(OC2CCCCC2)c(N)cc1F
InChIInChI=1S/C14H20FNO2/c1-2-17-13-9-14(12(16)8-11(13)15)18-10-6-4-3-5-7-10/h8-10H,2-7,16H2,1H3
InChIKeyTWUZHQLKPXPOFL-UHFFFAOYSA-N
XLogP3.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline
CID 63592899
2-cyclopropyloxy-5-ethyl-4-fluoroaniline
CID 161010618
4-ethoxy-5-fluoro-2-(oxan-2-ylmethoxy)aniline
CID 55216471
2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline
CID 82508066
2-N-(cyclopentylmethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 55215889
2-cyclopentyloxy-4,5-dimethoxyaniline
CID 83008231
2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline
CID 63599846
4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
CID 63593249
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-4-ethoxy-5-fluoroaniline?
The IUPAC name of 2-cyclohexyloxy-4-ethoxy-5-fluoroaniline (CID 63594138) is 2-cyclohexyloxy-4-ethoxy-5-fluoroaniline.
What is the SMILES notation for 2-cyclohexyloxy-4-ethoxy-5-fluoroaniline?
The canonical SMILES for 2-cyclohexyloxy-4-ethoxy-5-fluoroaniline is CCOc1cc(OC2CCCCC2)c(N)cc1F.
What is the InChIKey of 2-cyclohexyloxy-4-ethoxy-5-fluoroaniline?
The InChIKey is TWUZHQLKPXPOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-2-17-13-9-14(12(16)8-11(13)15)18-10-6-4-3-5-7-10/h8-10H,2-7,16H2,1H3.
What are the key properties of 2-cyclohexyloxy-4-ethoxy-5-fluoroaniline?
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline has a molecular weight of 253.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-4-ethoxy-5-fluoroaniline is sourced from PubChem (CID 63594138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).