2-chloro-6-(4-ethylphenyl)-4-fluoroaniline

C14H13ClFN — CID 107615744

IUPAC2-chloro-6-(4-ethylphenyl)-4-fluoroaniline
SMILESCCc1ccc(-c2cc(F)cc(Cl)c2N)cc1
InChIInChI=1S/C14H13ClFN/c1-2-9-3-5-10(6-4-9)12-7-11(16)8-13(15)14(12)17/h3-8H,2,17H2,1H3
InChIKeyKGEGKQJATSXSCH-UHFFFAOYSA-N
MW249.72 g/mol
LogP4.29
Rot. Bonds2

About 2-chloro-6-(4-ethylphenyl)-4-fluoroaniline

2-chloro-6-(4-ethylphenyl)-4-fluoroaniline (PubChem CID 107615744) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-chloro-6-(4-ethylphenyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-6-(4-ethylphenyl)-4-fluoroaniline
PubChem CID107615744
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name2-chloro-6-(4-ethylphenyl)-4-fluoroaniline
SMILESCCc1ccc(-c2cc(F)cc(Cl)c2N)cc1
InChIInChI=1S/C14H13ClFN/c1-2-9-3-5-10(6-4-9)12-7-11(16)8-13(15)14(12)17/h3-8H,2,17H2,1H3
InChIKeyKGEGKQJATSXSCH-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline
CID 107615777
2-chloro-4-fluoro-6-phenylaniline
CID 69144890
2-chloro-5-(4-ethylphenyl)aniline
CID 62909757
2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline
CID 107616008
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine
CID 105395732
4-fluoro-2-(4-propylphenyl)aniline
CID 55110546
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
4-(2-chloro-4-fluorophenyl)aniline
CID 115504877
4-(2-chloro-5-fluorophenyl)aniline
CID 105395647
4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene
CID 82119035
1-chloro-4-[2-(4-ethylphenyl)phenyl]benzene
CID 166659313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-ethylphenyl)-4-fluoroaniline?
The IUPAC name of 2-chloro-6-(4-ethylphenyl)-4-fluoroaniline (CID 107615744) is 2-chloro-6-(4-ethylphenyl)-4-fluoroaniline.
What is the SMILES notation for 2-chloro-6-(4-ethylphenyl)-4-fluoroaniline?
The canonical SMILES for 2-chloro-6-(4-ethylphenyl)-4-fluoroaniline is CCc1ccc(-c2cc(F)cc(Cl)c2N)cc1.
What is the InChIKey of 2-chloro-6-(4-ethylphenyl)-4-fluoroaniline?
The InChIKey is KGEGKQJATSXSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-2-9-3-5-10(6-4-9)12-7-11(16)8-13(15)14(12)17/h3-8H,2,17H2,1H3.
What are the key properties of 2-chloro-6-(4-ethylphenyl)-4-fluoroaniline?
2-chloro-6-(4-ethylphenyl)-4-fluoroaniline has a molecular weight of 249.72 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-ethylphenyl)-4-fluoroaniline is sourced from PubChem (CID 107615744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).