5-ethyl-3-fluoro-2,4-dimethoxyaniline

C10H14FNO2 — CID 84775321

IUPAC5-ethyl-3-fluoro-2,4-dimethoxyaniline
SMILESCCc1cc(N)c(OC)c(F)c1OC
InChIInChI=1S/C10H14FNO2/c1-4-6-5-7(12)10(14-3)8(11)9(6)13-2/h5H,4,12H2,1-3H3
InChIKeyABNGLSPPXBBXKU-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.99
Rot. Bonds3

About 5-ethyl-3-fluoro-2,4-dimethoxyaniline

5-ethyl-3-fluoro-2,4-dimethoxyaniline (PubChem CID 84775321) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 5-ethyl-3-fluoro-2,4-dimethoxyaniline.

Molecular Properties

Compound Name5-ethyl-3-fluoro-2,4-dimethoxyaniline
PubChem CID84775321
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name5-ethyl-3-fluoro-2,4-dimethoxyaniline
SMILESCCc1cc(N)c(OC)c(F)c1OC
InChIInChI=1S/C10H14FNO2/c1-4-6-5-7(12)10(14-3)8(11)9(6)13-2/h5H,4,12H2,1-3H3
InChIKeyABNGLSPPXBBXKU-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-3-fluoro-2,4-dimethoxyaniline?
The IUPAC name of 5-ethyl-3-fluoro-2,4-dimethoxyaniline (CID 84775321) is 5-ethyl-3-fluoro-2,4-dimethoxyaniline.
What is the SMILES notation for 5-ethyl-3-fluoro-2,4-dimethoxyaniline?
The canonical SMILES for 5-ethyl-3-fluoro-2,4-dimethoxyaniline is CCc1cc(N)c(OC)c(F)c1OC.
What is the InChIKey of 5-ethyl-3-fluoro-2,4-dimethoxyaniline?
The InChIKey is ABNGLSPPXBBXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-4-6-5-7(12)10(14-3)8(11)9(6)13-2/h5H,4,12H2,1-3H3.
What are the key properties of 5-ethyl-3-fluoro-2,4-dimethoxyaniline?
5-ethyl-3-fluoro-2,4-dimethoxyaniline has a molecular weight of 199.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-fluoro-2,4-dimethoxyaniline is sourced from PubChem (CID 84775321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).