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'}

Analyze 2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-methoxyaniline
CID 3756383
2-(2-fluorophenyl)-4-methylaniline
CID 62492091
4-methyl-2-(2,3,5,6-tetrachlorophenyl)aniline
CID 55197887
2-(3,5-difluorophenyl)-4-methylaniline
CID 61025824
2-(2-fluoro-4-methoxyphenyl)-4-methylphenol
CID 83130401
[3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910780
2-(3-fluoro-2-methylphenyl)-4-methylaniline
CID 115502782
2-fluoro-4-methylaniline;hydrochloride
CID 139976919
(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 60964479
2-fluoro-4-(2,4,6-trimethoxyphenyl)aniline
CID 61025671
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402
2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile
CID 172915420

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).