2-ethoxy-5-fluoro-N-methylaniline

C9H12FNO — CID 82268266

IUPAC2-ethoxy-5-fluoro-N-methylaniline
SMILESCCOc1ccc(F)cc1NC
InChIInChI=1S/C9H12FNO/c1-3-12-9-5-4-7(10)6-8(9)11-2/h4-6,11H,3H2,1-2H3
InChIKeyWQEPROMTONMNHD-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.27
Rot. Bonds3

About 2-ethoxy-5-fluoro-N-methylaniline

2-ethoxy-5-fluoro-N-methylaniline (PubChem CID 82268266) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-ethoxy-5-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-ethoxy-5-fluoro-N-methylaniline
PubChem CID82268266
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-ethoxy-5-fluoro-N-methylaniline
SMILESCCOc1ccc(F)cc1NC
InChIInChI=1S/C9H12FNO/c1-3-12-9-5-4-7(10)6-8(9)11-2/h4-6,11H,3H2,1-2H3
InChIKeyWQEPROMTONMNHD-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

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Related Compounds

(2-ethoxy-5-fluorophenyl)thiourea
CID 169358343
5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
2-[(2-ethoxy-5-fluoroanilino)methylidene]propanedinitrile
CID 168543731
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
2-ethoxy-4-fluoro-N-propylaniline
CID 43730181
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine
CID 173220801
4,5-dichloro-2-ethoxy-N-methylaniline
CID 82553897
2-(2-ethoxy-5-fluorophenyl)acetaldehyde
CID 83876013
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-fluoro-N-methylaniline?
The IUPAC name of 2-ethoxy-5-fluoro-N-methylaniline (CID 82268266) is 2-ethoxy-5-fluoro-N-methylaniline.
What is the SMILES notation for 2-ethoxy-5-fluoro-N-methylaniline?
The canonical SMILES for 2-ethoxy-5-fluoro-N-methylaniline is CCOc1ccc(F)cc1NC.
What is the InChIKey of 2-ethoxy-5-fluoro-N-methylaniline?
The InChIKey is WQEPROMTONMNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-3-12-9-5-4-7(10)6-8(9)11-2/h4-6,11H,3H2,1-2H3.
What are the key properties of 2-ethoxy-5-fluoro-N-methylaniline?
2-ethoxy-5-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 2-ethoxy-5-fluoro-N-methylaniline is sourced from PubChem (CID 82268266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).