5-(4-ethylphenyl)-2-fluoroaniline

C14H14FN — CID 82078593

IUPAC5-(4-ethylphenyl)-2-fluoroaniline
SMILESCCc1ccc(-c2ccc(F)c(N)c2)cc1
InChIInChI=1S/C14H14FN/c1-2-10-3-5-11(6-4-10)12-7-8-13(15)14(16)9-12/h3-9H,2,16H2,1H3
InChIKeyVWPKNHIOTJNHFI-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.64
Rot. Bonds2

About 5-(4-ethylphenyl)-2-fluoroaniline

5-(4-ethylphenyl)-2-fluoroaniline (PubChem CID 82078593) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-2-fluoroaniline.

Molecular Properties

Compound Name5-(4-ethylphenyl)-2-fluoroaniline
PubChem CID82078593
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name5-(4-ethylphenyl)-2-fluoroaniline
SMILESCCc1ccc(-c2ccc(F)c(N)c2)cc1
InChIInChI=1S/C14H14FN/c1-2-10-3-5-11(6-4-10)12-7-8-13(15)14(16)9-12/h3-9H,2,16H2,1H3
InChIKeyVWPKNHIOTJNHFI-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.64
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 5-(4-ethylphenyl)-2-fluoroaniline?
The IUPAC name of 5-(4-ethylphenyl)-2-fluoroaniline (CID 82078593) is 5-(4-ethylphenyl)-2-fluoroaniline.
What is the SMILES notation for 5-(4-ethylphenyl)-2-fluoroaniline?
The canonical SMILES for 5-(4-ethylphenyl)-2-fluoroaniline is CCc1ccc(-c2ccc(F)c(N)c2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-2-fluoroaniline?
The InChIKey is VWPKNHIOTJNHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-2-10-3-5-11(6-4-10)12-7-8-13(15)14(16)9-12/h3-9H,2,16H2,1H3.
What are the key properties of 5-(4-ethylphenyl)-2-fluoroaniline?
5-(4-ethylphenyl)-2-fluoroaniline has a molecular weight of 215.27 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-2-fluoroaniline is sourced from PubChem (CID 82078593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).