2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline

C15H18FNOS — CID 63992858

IUPAC2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCCOc1cc(F)ccc1NC(C)c1sccc1C
InChIInChI=1S/C15H18FNOS/c1-4-18-14-9-12(16)5-6-13(14)17-11(3)15-10(2)7-8-19-15/h5-9,11,17H,4H2,1-3H3
InChIKeyMBPVTRZKKUHHLF-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.77
Rot. Bonds5

About 2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline

2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (PubChem CID 63992858) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
PubChem CID63992858
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCCOc1cc(F)ccc1NC(C)c1sccc1C
InChIInChI=1S/C15H18FNOS/c1-4-18-14-9-12(16)5-6-13(14)17-11(3)15-10(2)7-8-19-15/h5-9,11,17H,4H2,1-3H3
InChIKeyMBPVTRZKKUHHLF-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993598
N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730076
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
CID 63064811
2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43787964
4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol
CID 43730123
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107710696
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993267
N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730085
2,3,4-trifluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993191
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678
2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657227
N-[(3-bromothiophen-2-yl)methyl]-2-ethoxy-4-fluoroaniline
CID 115380053

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (CID 63992858) is 2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is CCOc1cc(F)ccc1NC(C)c1sccc1C.
What is the InChIKey of 2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is MBPVTRZKKUHHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-4-18-14-9-12(16)5-6-13(14)17-11(3)15-10(2)7-8-19-15/h5-9,11,17H,4H2,1-3H3.
What are the key properties of 2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 279.38 g/mol, XLogP of 4.77, 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-[1-(3-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 63992858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).