4-ethoxy-2-fluoro-N-methylaniline

C9H12FNO — CID 68515674

IUPAC4-ethoxy-2-fluoro-N-methylaniline
SMILESCCOc1ccc(NC)c(F)c1
InChIInChI=1S/C9H12FNO/c1-3-12-7-4-5-9(11-2)8(10)6-7/h4-6,11H,3H2,1-2H3
InChIKeyWWMCLYSTRQYJER-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.27
Rot. Bonds3

About 4-ethoxy-2-fluoro-N-methylaniline

4-ethoxy-2-fluoro-N-methylaniline (PubChem CID 68515674) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 4-ethoxy-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-ethoxy-2-fluoro-N-methylaniline
PubChem CID68515674
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name4-ethoxy-2-fluoro-N-methylaniline
SMILESCCOc1ccc(NC)c(F)c1
InChIInChI=1S/C9H12FNO/c1-3-12-7-4-5-9(11-2)8(10)6-7/h4-6,11H,3H2,1-2H3
InChIKeyWWMCLYSTRQYJER-UHFFFAOYSA-N
XLogP2.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-methoxy-N-methylaniline;hydrochloride
CID 175025115
1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
CID 84659103
4-(difluoromethoxy)-2-fluoro-N-methylaniline
CID 131040110
1-[3-[3-[3-fluoro-4-(methylamino)phenoxy]propoxy]propoxy]butan-2-one
CID 135175623
2-(4-ethoxy-2-fluorophenyl)acetonitrile
CID 84767796
[2-(difluoromethyl)-4-ethoxyphenyl]hydrazine
CID 118809032
2-(4-ethoxy-2-fluorophenyl)ethanol
CID 117279842
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
3-(4-ethoxy-2-fluorophenyl)propanal
CID 117286118
2-fluoro-5-(2-methoxyethoxy)-N-methylaniline
CID 67812902
2-ethoxy-5-fluoro-N-methylaniline
CID 82268266
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-fluoro-N-methylaniline?
The IUPAC name of 4-ethoxy-2-fluoro-N-methylaniline (CID 68515674) is 4-ethoxy-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-ethoxy-2-fluoro-N-methylaniline?
The canonical SMILES for 4-ethoxy-2-fluoro-N-methylaniline is CCOc1ccc(NC)c(F)c1.
What is the InChIKey of 4-ethoxy-2-fluoro-N-methylaniline?
The InChIKey is WWMCLYSTRQYJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-3-12-7-4-5-9(11-2)8(10)6-7/h4-6,11H,3H2,1-2H3.
What are the key properties of 4-ethoxy-2-fluoro-N-methylaniline?
4-ethoxy-2-fluoro-N-methylaniline has a molecular weight of 169.20 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-fluoro-N-methylaniline is sourced from PubChem (CID 68515674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).