4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline

C16H19FN2O2 — CID 103935795

IUPAC4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline
SMILESCCOc1ccc(NC(C)c2cncc(F)c2)cc1OC
InChIInChI=1S/C16H19FN2O2/c1-4-21-15-6-5-14(8-16(15)20-3)19-11(2)12-7-13(17)10-18-9-12/h5-11,19H,4H2,1-3H3
InChIKeyFIUZUYAHCIINFX-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.80
Rot. Bonds6

About 4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline

4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline (PubChem CID 103935795) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline
PubChem CID103935795
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline
SMILESCCOc1ccc(NC(C)c2cncc(F)c2)cc1OC
InChIInChI=1S/C16H19FN2O2/c1-4-21-15-6-5-14(8-16(15)20-3)19-11(2)12-7-13(17)10-18-9-12/h5-11,19H,4H2,1-3H3
InChIKeyFIUZUYAHCIINFX-UHFFFAOYSA-N
XLogP3.80
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline
CID 103930916
4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline
CID 43717339
4-ethoxy-3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43717313
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline
CID 103935877
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114080544
4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline
CID 43785298
4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
CID 103930885
4-ethoxy-3-methoxy-N-(1-methoxypropan-2-yl)aniline
CID 62536992
3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917806
4-ethoxy-3-methoxy-N-methylaniline
CID 63089329
3-bromo-N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114262019
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline?
The IUPAC name of 4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline (CID 103935795) is 4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline.
What is the SMILES notation for 4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline?
The canonical SMILES for 4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline is CCOc1ccc(NC(C)c2cncc(F)c2)cc1OC.
What is the InChIKey of 4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline?
The InChIKey is FIUZUYAHCIINFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-4-21-15-6-5-14(8-16(15)20-3)19-11(2)12-7-13(17)10-18-9-12/h5-11,19H,4H2,1-3H3.
What are the key properties of 4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline?
4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline has a molecular weight of 290.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 103935795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).