3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline

C17H17FN2 — CID 144838169

IUPAC3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline
SMILESCNc1cccc(C2CC2)c1/C=C/c1cc(F)ccn1
InChIInChI=1S/C17H17FN2/c1-19-17-4-2-3-15(12-5-6-12)16(17)8-7-14-11-13(18)9-10-20-14/h2-4,7-12,19H,5-6H2,1H3/b8-7+
InChIKeyNUZFBHVKZCPCBU-BQYQJAHWSA-N
MW268.34 g/mol
LogP4.31
Rot. Bonds4

About 3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline

3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline (PubChem CID 144838169) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline.

Molecular Properties

Compound Name3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline
PubChem CID144838169
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline
SMILESCNc1cccc(C2CC2)c1/C=C/c1cc(F)ccn1
InChIInChI=1S/C17H17FN2/c1-19-17-4-2-3-15(12-5-6-12)16(17)8-7-14-11-13(18)9-10-20-14/h2-4,7-12,19H,5-6H2,1H3/b8-7+
InChIKeyNUZFBHVKZCPCBU-BQYQJAHWSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline?
The IUPAC name of 3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline (CID 144838169) is 3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline.
What is the SMILES notation for 3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline?
The canonical SMILES for 3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline is CNc1cccc(C2CC2)c1/C=C/c1cc(F)ccn1.
What is the InChIKey of 3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline?
The InChIKey is NUZFBHVKZCPCBU-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H17FN2/c1-19-17-4-2-3-15(12-5-6-12)16(17)8-7-14-11-13(18)9-10-20-14/h2-4,7-12,19H,5-6H2,1H3/b8-7+.
What are the key properties of 3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline?
3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline has a molecular weight of 268.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(E)-2-(4-fluoro-2-pyridinyl)ethenyl]-N-methylaniline is sourced from PubChem (CID 144838169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).