N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline

C14H13ClFN — CID 82536210

IUPACN-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline
SMILESCc1cccc(C)c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFN/c1-9-4-3-5-10(2)14(9)17-11-6-7-13(16)12(15)8-11/h3-8,17H,1-2H3
InChIKeyFQIHMLFZTVKPPI-UHFFFAOYSA-N
MW249.72 g/mol
LogP4.84
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline

N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline (PubChem CID 82536210) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline
PubChem CID82536210
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline
SMILESCc1cccc(C)c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFN/c1-9-4-3-5-10(2)14(9)17-11-6-7-13(16)12(15)8-11/h3-8,17H,1-2H3
InChIKeyFQIHMLFZTVKPPI-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chlorophenyl)-2,6-dimethylaniline
CID 10977319
3-chloro-4-fluoro-N-(3-fluorophenyl)aniline
CID 82536211
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868
3-(3-chloro-4-fluoroanilino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
CID 20921740
N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitroaniline
CID 63536605
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-N-(2,6-dimethylphenyl)acetamide
CID 8790864
2-(3-chloro-4-methylanilino)-3-methylbenzonitrile
CID 107106269
N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine
CID 63208281
3-chloro-4-fluoro-N-methylaniline;ethane
CID 142993697
2-(3-chloro-4-fluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268147
3-amino-2-(3-chloro-4-fluoroanilino)benzamide
CID 112577949

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline (CID 82536210) is N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline is Cc1cccc(C)c1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline?
The InChIKey is FQIHMLFZTVKPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-9-4-3-5-10(2)14(9)17-11-6-7-13(16)12(15)8-11/h3-8,17H,1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline?
N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline has a molecular weight of 249.72 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline is sourced from PubChem (CID 82536210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).