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

C16H16FNS — CID 144838694

IUPAC3-cyclopropyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline
SMILESCNc1cc(F)cc(C2CC2)c1/C=C/c1cccs1
InChIInChI=1S/C16H16FNS/c1-18-16-10-12(17)9-15(11-4-5-11)14(16)7-6-13-3-2-8-19-13/h2-3,6-11,18H,4-5H2,1H3/b7-6+
InChIKeyYGHBGNDRJRZOHP-VOTSOKGWSA-N
MW273.38 g/mol
LogP4.98
Rot. Bonds4

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

3-cyclopropyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline (PubChem CID 144838694) has the molecular formula C16H16FNS and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-cyclopropyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline.

Molecular Properties

Compound Name3-cyclopropyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline
PubChem CID144838694
Molecular FormulaC16H16FNS
Molecular Weight273.38 g/mol
Exact Mass273.10
IUPAC Name3-cyclopropyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline
SMILESCNc1cc(F)cc(C2CC2)c1/C=C/c1cccs1
InChIInChI=1S/C16H16FNS/c1-18-16-10-12(17)9-15(11-4-5-11)14(16)7-6-13-3-2-8-19-13/h2-3,6-11,18H,4-5H2,1H3/b7-6+
InChIKeyYGHBGNDRJRZOHP-VOTSOKGWSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline?
The IUPAC name of 3-cyclopropyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline (CID 144838694) is 3-cyclopropyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline.
What is the SMILES notation for 3-cyclopropyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline?
The canonical SMILES for 3-cyclopropyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline is CNc1cc(F)cc(C2CC2)c1/C=C/c1cccs1.
What is the InChIKey of 3-cyclopropyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline?
The InChIKey is YGHBGNDRJRZOHP-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H16FNS/c1-18-16-10-12(17)9-15(11-4-5-11)14(16)7-6-13-3-2-8-19-13/h2-3,6-11,18H,4-5H2,1H3/b7-6+.
What are the key properties of 3-cyclopropyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline?
3-cyclopropyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline has a molecular weight of 273.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-fluoro-N-methyl-2-[(E)-2-thiophen-2-ylethenyl]aniline is sourced from PubChem (CID 144838694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).