2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline

C14H13F2NO — CID 54912439

IUPAC2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline
SMILESCOc1cc(F)c(-c2cc(C)ccc2N)c(F)c1
InChIInChI=1S/C14H13F2NO/c1-8-3-4-13(17)10(5-8)14-11(15)6-9(18-2)7-12(14)16/h3-7H,17H2,1-2H3
InChIKeyIQOHJKWXYYZIOH-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.53
Rot. Bonds2

About 2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline

2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline (PubChem CID 54912439) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline.

Molecular Properties

Compound Name2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline
PubChem CID54912439
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline
SMILESCOc1cc(F)c(-c2cc(C)ccc2N)c(F)c1
InChIInChI=1S/C14H13F2NO/c1-8-3-4-13(17)10(5-8)14-11(15)6-9(18-2)7-12(14)16/h3-7H,17H2,1-2H3
InChIKeyIQOHJKWXYYZIOH-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline?
The IUPAC name of 2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline (CID 54912439) is 2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline.
What is the SMILES notation for 2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline?
The canonical SMILES for 2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline is COc1cc(F)c(-c2cc(C)ccc2N)c(F)c1.
What is the InChIKey of 2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline?
The InChIKey is IQOHJKWXYYZIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-8-3-4-13(17)10(5-8)14-11(15)6-9(18-2)7-12(14)16/h3-7H,17H2,1-2H3.
What are the key properties of 2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline?
2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline has a molecular weight of 249.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline is sourced from PubChem (CID 54912439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).