2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline

C14H16FNO2 — CID 115777075

IUPAC2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCCOc1cc(F)ccc1NCc1occc1C
InChIInChI=1S/C14H16FNO2/c1-3-17-13-8-11(15)4-5-12(13)16-9-14-10(2)6-7-18-14/h4-8,16H,3,9H2,1-2H3
InChIKeyJONMIGSTDRXOML-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.74
Rot. Bonds5

About 2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline

2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline (PubChem CID 115777075) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
PubChem CID115777075
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCCOc1cc(F)ccc1NCc1occc1C
InChIInChI=1S/C14H16FNO2/c1-3-17-13-8-11(15)4-5-12(13)16-9-14-10(2)6-7-18-14/h4-8,16H,3,9H2,1-2H3
InChIKeyJONMIGSTDRXOML-UHFFFAOYSA-N
XLogP3.74
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242989
2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115977103
4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113247946
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43729988
2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868511
2-ethoxy-4-fluoro-N-propylaniline
CID 43730181
N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730035
2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132406
N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 115743532
4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115749342
2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657227

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline (CID 115777075) is 2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline is CCOc1cc(F)ccc1NCc1occc1C.
What is the InChIKey of 2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
The InChIKey is JONMIGSTDRXOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-3-17-13-8-11(15)4-5-12(13)16-9-14-10(2)6-7-18-14/h4-8,16H,3,9H2,1-2H3.
What are the key properties of 2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline has a molecular weight of 249.28 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 115777075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).