4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline

C20H25FN2O3 — CID 142791407

IUPAC4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline
SMILESCc1cc(N)ccc1/C=C/c1ccc(OCCOCCOCCF)nc1
InChIInChI=1S/C20H25FN2O3/c1-16-14-19(22)6-5-18(16)4-2-17-3-7-20(23-15-17)26-13-12-25-11-10-24-9-8-21/h2-7,14-15H,8-13,22H2,1H3/b4-2+
InChIKeyHWVFWCQZMIGQTD-DUXPYHPUSA-N
MW360.43 g/mol
LogP3.52
Rot. Bonds11

About 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline

4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline (PubChem CID 142791407) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline
PubChem CID142791407
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline
SMILESCc1cc(N)ccc1/C=C/c1ccc(OCCOCCOCCF)nc1
InChIInChI=1S/C20H25FN2O3/c1-16-14-19(22)6-5-18(16)4-2-17-3-7-20(23-15-17)26-13-12-25-11-10-24-9-8-21/h2-7,14-15H,8-13,22H2,1H3/b4-2+
InChIKeyHWVFWCQZMIGQTD-DUXPYHPUSA-N
XLogP3.52
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline?
The IUPAC name of 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline (CID 142791407) is 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline.
What is the SMILES notation for 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline?
The canonical SMILES for 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline is Cc1cc(N)ccc1/C=C/c1ccc(OCCOCCOCCF)nc1.
What is the InChIKey of 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline?
The InChIKey is HWVFWCQZMIGQTD-DUXPYHPUSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-16-14-19(22)6-5-18(16)4-2-17-3-7-20(23-15-17)26-13-12-25-11-10-24-9-8-21/h2-7,14-15H,8-13,22H2,1H3/b4-2+.
What are the key properties of 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline?
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline has a molecular weight of 360.43 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-3-methylaniline is sourced from PubChem (CID 142791407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).