4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol

C16H18FNO2 — CID 43730123

IUPAC4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol
SMILESCCOc1cc(F)ccc1NC(C)c1ccc(O)cc1
InChIInChI=1S/C16H18FNO2/c1-3-20-16-10-13(17)6-9-15(16)18-11(2)12-4-7-14(19)8-5-12/h4-11,18-19H,3H2,1-2H3
InChIKeySOJVUSKXCAMHSC-UHFFFAOYSA-N
MW275.32 g/mol
LogP4.10
Rot. Bonds5

About 4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol

4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol (PubChem CID 43730123) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol
PubChem CID43730123
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol
SMILESCCOc1cc(F)ccc1NC(C)c1ccc(O)cc1
InChIInChI=1S/C16H18FNO2/c1-3-20-16-10-13(17)6-9-15(16)18-11(2)12-4-7-14(19)8-5-12/h4-11,18-19H,3H2,1-2H3
InChIKeySOJVUSKXCAMHSC-UHFFFAOYSA-N
XLogP4.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
CID 63064811
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107710696
2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43787964
N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730085
N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730076
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43191738
2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63992858
2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol
CID 43730084
2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline
CID 107527481
2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 47062079
5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
CID 63069226
tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate
CID 103388683

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol?
The IUPAC name of 4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol (CID 43730123) is 4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol.
What is the SMILES notation for 4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol?
The canonical SMILES for 4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol is CCOc1cc(F)ccc1NC(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol?
The InChIKey is SOJVUSKXCAMHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-3-20-16-10-13(17)6-9-15(16)18-11(2)12-4-7-14(19)8-5-12/h4-11,18-19H,3H2,1-2H3.
What are the key properties of 4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol?
4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol has a molecular weight of 275.32 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol is sourced from PubChem (CID 43730123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).