2-ethoxy-4-fluoro-N-propylaniline

C11H16FNO — CID 43730181

IUPAC2-ethoxy-4-fluoro-N-propylaniline
SMILESCCCNc1ccc(F)cc1OCC
InChIInChI=1S/C11H16FNO/c1-3-7-13-10-6-5-9(12)8-11(10)14-4-2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyBZYOHXZYRMQRIB-UHFFFAOYSA-N
MW197.25 g/mol
LogP3.05
Rot. Bonds5

About 2-ethoxy-4-fluoro-N-propylaniline

2-ethoxy-4-fluoro-N-propylaniline (PubChem CID 43730181) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-propylaniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-propylaniline
PubChem CID43730181
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-ethoxy-4-fluoro-N-propylaniline
SMILESCCCNc1ccc(F)cc1OCC
InChIInChI=1S/C11H16FNO/c1-3-7-13-10-6-5-9(12)8-11(10)14-4-2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyBZYOHXZYRMQRIB-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-4-fluoro-N-propylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline
CID 43729973
N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730035
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657227
N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 66418425
2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43729988
2-ethoxy-4-fluoro-N-[(1-methylsulfanylcyclopropyl)methyl]aniline
CID 114269762
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730106
2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132406
2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115777075
N-(2-ethoxy-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604524
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-propylaniline?
The IUPAC name of 2-ethoxy-4-fluoro-N-propylaniline (CID 43730181) is 2-ethoxy-4-fluoro-N-propylaniline.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-propylaniline?
The canonical SMILES for 2-ethoxy-4-fluoro-N-propylaniline is CCCNc1ccc(F)cc1OCC.
What is the InChIKey of 2-ethoxy-4-fluoro-N-propylaniline?
The InChIKey is BZYOHXZYRMQRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-7-13-10-6-5-9(12)8-11(10)14-4-2/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 2-ethoxy-4-fluoro-N-propylaniline?
2-ethoxy-4-fluoro-N-propylaniline has a molecular weight of 197.25 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoro-N-propylaniline is sourced from PubChem (CID 43730181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).