3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline

C15H16FNS — CID 144837908

IUPAC3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline
SMILESCCc1cc(F)cc(NC)c1/C=C/c1cccs1
InChIInChI=1S/C15H16FNS/c1-3-11-9-12(16)10-15(17-2)14(11)7-6-13-5-4-8-18-13/h4-10,17H,3H2,1-2H3/b7-6+
InChIKeyHGXSGVWPNHWQMI-VOTSOKGWSA-N
MW261.37 g/mol
LogP4.66
Rot. Bonds4

About 3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline

3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline (PubChem CID 144837908) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline.

Molecular Properties

Compound Name3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline
PubChem CID144837908
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline
SMILESCCc1cc(F)cc(NC)c1/C=C/c1cccs1
InChIInChI=1S/C15H16FNS/c1-3-11-9-12(16)10-15(17-2)14(11)7-6-13-5-4-8-18-13/h4-10,17H,3H2,1-2H3/b7-6+
InChIKeyHGXSGVWPNHWQMI-VOTSOKGWSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline?
The IUPAC name of 3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline (CID 144837908) is 3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline.
What is the SMILES notation for 3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline?
The canonical SMILES for 3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline is CCc1cc(F)cc(NC)c1/C=C/c1cccs1.
What is the InChIKey of 3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline?
The InChIKey is HGXSGVWPNHWQMI-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H16FNS/c1-3-11-9-12(16)10-15(17-2)14(11)7-6-13-5-4-8-18-13/h4-10,17H,3H2,1-2H3/b7-6+.
What are the key properties of 3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline?
3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline has a molecular weight of 261.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline is sourced from PubChem (CID 144837908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).