2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline

C12H16FN — CID 131982197

IUPAC2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline
SMILESC=Cc1cc(C(C)C)cc(F)c1NC
InChIInChI=1S/C12H16FN/c1-5-9-6-10(8(2)3)7-11(13)12(9)14-4/h5-8,14H,1H2,2-4H3
InChIKeyBJNKZNMMWPPAAX-UHFFFAOYSA-N
MW193.26 g/mol
LogP3.63
Rot. Bonds3

About 2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline

2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline (PubChem CID 131982197) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline.

Molecular Properties

Compound Name2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline
PubChem CID131982197
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline
SMILESC=Cc1cc(C(C)C)cc(F)c1NC
InChIInChI=1S/C12H16FN/c1-5-9-6-10(8(2)3)7-11(13)12(9)14-4/h5-8,14H,1H2,2-4H3
InChIKeyBJNKZNMMWPPAAX-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline?
The IUPAC name of 2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline (CID 131982197) is 2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline.
What is the SMILES notation for 2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline?
The canonical SMILES for 2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline is C=Cc1cc(C(C)C)cc(F)c1NC.
What is the InChIKey of 2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline?
The InChIKey is BJNKZNMMWPPAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-5-9-6-10(8(2)3)7-11(13)12(9)14-4/h5-8,14H,1H2,2-4H3.
What are the key properties of 2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline?
2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline has a molecular weight of 193.26 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-fluoro-N-methyl-4-propan-2-ylaniline is sourced from PubChem (CID 131982197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).