2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol

C15H15ClFNO2 — CID 107270535

IUPAC2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol
SMILESCOc1cc(NC(C)c2cc(F)ccc2O)ccc1Cl
InChIInChI=1S/C15H15ClFNO2/c1-9(12-7-10(17)3-6-14(12)19)18-11-4-5-13(16)15(8-11)20-2/h3-9,18-19H,1-2H3
InChIKeyYZCQLISFVHYBGL-UHFFFAOYSA-N
MW295.74 g/mol
LogP4.37
Rot. Bonds4

About 2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol

2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol (PubChem CID 107270535) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol
PubChem CID107270535
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol
SMILESCOc1cc(NC(C)c2cc(F)ccc2O)ccc1Cl
InChIInChI=1S/C15H15ClFNO2/c1-9(12-7-10(17)3-6-14(12)19)18-11-4-5-13(16)15(8-11)20-2/h3-9,18-19H,1-2H3
InChIKeyYZCQLISFVHYBGL-UHFFFAOYSA-N
XLogP4.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 54.37
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-(4-bromo-3-chloroanilino)ethyl]-4-fluorophenol
CID 107619041
2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol
CID 83077307
2-[1-(4-chloro-3-fluoroanilino)ethyl]benzene-1,4-diol
CID 43721515
4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
CID 107620944
4-chloro-3-methoxy-N-(1-phenylethyl)aniline
CID 107266476
2-[1-(3-chloro-4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63067302
4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline
CID 107270569
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107701003
2-chloro-5-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzoic acid
CID 63064819
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43766019
4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
CID 43194672
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol?
The IUPAC name of 2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol (CID 107270535) is 2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol.
What is the SMILES notation for 2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol?
The canonical SMILES for 2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol is COc1cc(NC(C)c2cc(F)ccc2O)ccc1Cl.
What is the InChIKey of 2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol?
The InChIKey is YZCQLISFVHYBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-9(12-7-10(17)3-6-14(12)19)18-11-4-5-13(16)15(8-11)20-2/h3-9,18-19H,1-2H3.
What are the key properties of 2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol?
2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol has a molecular weight of 295.74 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol is sourced from PubChem (CID 107270535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).