4-ethoxy-3-fluoro-N-hexan-3-ylaniline

C14H22FNO — CID 114079602

IUPAC4-ethoxy-3-fluoro-N-hexan-3-ylaniline
SMILESCCCC(CC)Nc1ccc(OCC)c(F)c1
InChIInChI=1S/C14H22FNO/c1-4-7-11(5-2)16-12-8-9-14(17-6-3)13(15)10-12/h8-11,16H,4-7H2,1-3H3
InChIKeyAARZNGHALPXFCU-UHFFFAOYSA-N
MW239.33 g/mol
LogP4.22
Rot. Bonds7

About 4-ethoxy-3-fluoro-N-hexan-3-ylaniline

4-ethoxy-3-fluoro-N-hexan-3-ylaniline (PubChem CID 114079602) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-hexan-3-ylaniline.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-hexan-3-ylaniline
PubChem CID114079602
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name4-ethoxy-3-fluoro-N-hexan-3-ylaniline
SMILESCCCC(CC)Nc1ccc(OCC)c(F)c1
InChIInChI=1S/C14H22FNO/c1-4-7-11(5-2)16-12-8-9-14(17-6-3)13(15)10-12/h8-11,16H,4-7H2,1-3H3
InChIKeyAARZNGHALPXFCU-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-heptan-3-yl-4-methoxyaniline
CID 63944319
4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine
CID 63592175
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
4-ethoxy-N-hexan-3-ylaniline
CID 21311782
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide
CID 113399730
4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871801
N-(4-ethoxy-3-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206242
2-fluoro-4-(hexan-3-ylamino)benzenecarbothioamide
CID 113295888
2-[(4-ethoxy-3-fluoroanilino)methyl]butanoic acid
CID 115249706
4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol
CID 107715391

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-hexan-3-ylaniline?
The IUPAC name of 4-ethoxy-3-fluoro-N-hexan-3-ylaniline (CID 114079602) is 4-ethoxy-3-fluoro-N-hexan-3-ylaniline.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-hexan-3-ylaniline?
The canonical SMILES for 4-ethoxy-3-fluoro-N-hexan-3-ylaniline is CCCC(CC)Nc1ccc(OCC)c(F)c1.
What is the InChIKey of 4-ethoxy-3-fluoro-N-hexan-3-ylaniline?
The InChIKey is AARZNGHALPXFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-7-11(5-2)16-12-8-9-14(17-6-3)13(15)10-12/h8-11,16H,4-7H2,1-3H3.
What are the key properties of 4-ethoxy-3-fluoro-N-hexan-3-ylaniline?
4-ethoxy-3-fluoro-N-hexan-3-ylaniline has a molecular weight of 239.33 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-hexan-3-ylaniline is sourced from PubChem (CID 114079602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).