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

C17H20FNO2 — CID 43730084

IUPAC2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol
SMILESCCOc1cc(F)ccc1NC(CC)c1ccccc1O
InChIInChI=1S/C17H20FNO2/c1-3-14(13-7-5-6-8-16(13)20)19-15-10-9-12(18)11-17(15)21-4-2/h5-11,14,19-20H,3-4H2,1-2H3
InChIKeyXEMKALGZQJKLTA-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.49
Rot. Bonds6

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

2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol (PubChem CID 43730084) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol
PubChem CID43730084
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol
SMILESCCOc1cc(F)ccc1NC(CC)c1ccccc1O
InChIInChI=1S/C17H20FNO2/c1-3-14(13-7-5-6-8-16(13)20)19-15-10-9-12(18)11-17(15)21-4-2/h5-11,14,19-20H,3-4H2,1-2H3
InChIKeyXEMKALGZQJKLTA-UHFFFAOYSA-N
XLogP4.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-chloro-4-fluoroanilino)propyl]phenol
CID 43150463
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107710696
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
CID 63064811
2-[1-(4-bromo-2-fluoroanilino)propyl]phenol
CID 43192631
2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122748
2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773957
2-ethoxy-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 63452945
4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol
CID 43730123
2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline
CID 114871410
2-[1-(3-chloro-4-ethoxyanilino)propyl]phenol
CID 60944149
N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730076
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676901

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol?
The IUPAC name of 2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol (CID 43730084) is 2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol.
What is the SMILES notation for 2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol?
The canonical SMILES for 2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol is CCOc1cc(F)ccc1NC(CC)c1ccccc1O.
What is the InChIKey of 2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol?
The InChIKey is XEMKALGZQJKLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-3-14(13-7-5-6-8-16(13)20)19-15-10-9-12(18)11-17(15)21-4-2/h5-11,14,19-20H,3-4H2,1-2H3.
What are the key properties of 2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol?
2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol has a molecular weight of 289.35 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol is sourced from PubChem (CID 43730084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).