3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline

C13H16FN — CID 146613019

IUPAC3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline
SMILESC=C(C)c1cc(C)c(F)c(C(=C)C)c1N
InChIInChI=1S/C13H16FN/c1-7(2)10-6-9(5)12(14)11(8(3)4)13(10)15/h6H,1,3,15H2,2,4-5H3
InChIKeyWLDQCGCOAKRHGJ-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.78
Rot. Bonds2

About 3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline

3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline (PubChem CID 146613019) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline.

Molecular Properties

Compound Name3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline
PubChem CID146613019
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline
SMILESC=C(C)c1cc(C)c(F)c(C(=C)C)c1N
InChIInChI=1S/C13H16FN/c1-7(2)10-6-9(5)12(14)11(8(3)4)13(10)15/h6H,1,3,15H2,2,4-5H3
InChIKeyWLDQCGCOAKRHGJ-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline?
The IUPAC name of 3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline (CID 146613019) is 3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline.
What is the SMILES notation for 3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline?
The canonical SMILES for 3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline is C=C(C)c1cc(C)c(F)c(C(=C)C)c1N.
What is the InChIKey of 3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline?
The InChIKey is WLDQCGCOAKRHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-7(2)10-6-9(5)12(14)11(8(3)4)13(10)15/h6H,1,3,15H2,2,4-5H3.
What are the key properties of 3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline?
3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline has a molecular weight of 205.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline is sourced from PubChem (CID 146613019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).