3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline

C17H19FN2O — CID 149338551

IUPAC3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline
SMILESC=C(OCC)c1cc(N)cc(F)c1-c1ccc(CC)nc1
InChIInChI=1S/C17H19FN2O/c1-4-14-7-6-12(10-20-14)17-15(11(3)21-5-2)8-13(19)9-16(17)18/h6-10H,3-5,19H2,1-2H3
InChIKeyYDSJOUZKIHKYRA-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.04
Rot. Bonds5

About 3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline

3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline (PubChem CID 149338551) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline
PubChem CID149338551
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline
SMILESC=C(OCC)c1cc(N)cc(F)c1-c1ccc(CC)nc1
InChIInChI=1S/C17H19FN2O/c1-4-14-7-6-12(10-20-14)17-15(11(3)21-5-2)8-13(19)9-16(17)18/h6-10H,3-5,19H2,1-2H3
InChIKeyYDSJOUZKIHKYRA-UHFFFAOYSA-N
XLogP4.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline?
The IUPAC name of 3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline (CID 149338551) is 3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline.
What is the SMILES notation for 3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline?
The canonical SMILES for 3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline is C=C(OCC)c1cc(N)cc(F)c1-c1ccc(CC)nc1.
What is the InChIKey of 3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline?
The InChIKey is YDSJOUZKIHKYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-4-14-7-6-12(10-20-14)17-15(11(3)21-5-2)8-13(19)9-16(17)18/h6-10H,3-5,19H2,1-2H3.
What are the key properties of 3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline?
3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline has a molecular weight of 286.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)-4-(6-ethyl-3-pyridinyl)-5-fluoroaniline is sourced from PubChem (CID 149338551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).