4-(3-ethoxyphenyl)-2-fluoroaniline

C14H14FNO — CID 66997355

IUPAC4-(3-ethoxyphenyl)-2-fluoroaniline
SMILESCCOc1cccc(-c2ccc(N)c(F)c2)c1
InChIInChI=1S/C14H14FNO/c1-2-17-12-5-3-4-10(8-12)11-6-7-14(16)13(15)9-11/h3-9H,2,16H2,1H3
InChIKeyULFLHZVDFOHESL-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.47
Rot. Bonds3

About 4-(3-ethoxyphenyl)-2-fluoroaniline

4-(3-ethoxyphenyl)-2-fluoroaniline (PubChem CID 66997355) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-(3-ethoxyphenyl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(3-ethoxyphenyl)-2-fluoroaniline
PubChem CID66997355
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name4-(3-ethoxyphenyl)-2-fluoroaniline
SMILESCCOc1cccc(-c2ccc(N)c(F)c2)c1
InChIInChI=1S/C14H14FNO/c1-2-17-12-5-3-4-10(8-12)11-6-7-14(16)13(15)9-11/h3-9H,2,16H2,1H3
InChIKeyULFLHZVDFOHESL-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.47
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 4-(3-ethoxyphenyl)-2-fluoroaniline?
The IUPAC name of 4-(3-ethoxyphenyl)-2-fluoroaniline (CID 66997355) is 4-(3-ethoxyphenyl)-2-fluoroaniline.
What is the SMILES notation for 4-(3-ethoxyphenyl)-2-fluoroaniline?
The canonical SMILES for 4-(3-ethoxyphenyl)-2-fluoroaniline is CCOc1cccc(-c2ccc(N)c(F)c2)c1.
What is the InChIKey of 4-(3-ethoxyphenyl)-2-fluoroaniline?
The InChIKey is ULFLHZVDFOHESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-2-17-12-5-3-4-10(8-12)11-6-7-14(16)13(15)9-11/h3-9H,2,16H2,1H3.
What are the key properties of 4-(3-ethoxyphenyl)-2-fluoroaniline?
4-(3-ethoxyphenyl)-2-fluoroaniline has a molecular weight of 231.27 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenyl)-2-fluoroaniline is sourced from PubChem (CID 66997355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).