2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol

C15H15ClFNO2 — CID 104817673

IUPAC2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol
SMILESCOc1cccc(Cl)c1C(CO)Nc1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO2/c1-20-14-4-2-3-12(16)15(14)13(9-19)18-11-7-5-10(17)6-8-11/h2-8,13,18-19H,9H2,1H3
InChIKeyJQOJGKUQLXOEBT-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.63
Rot. Bonds5

About 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol

2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol (PubChem CID 104817673) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol
PubChem CID104817673
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol
SMILESCOc1cccc(Cl)c1C(CO)Nc1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO2/c1-20-14-4-2-3-12(16)15(14)13(9-19)18-11-7-5-10(17)6-8-11/h2-8,13,18-19H,9H2,1H3
InChIKeyJQOJGKUQLXOEBT-UHFFFAOYSA-N
XLogP3.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid
CID 104816536
2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol
CID 65026319
2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049935
4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 115916765
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol
CID 61048365
2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol
CID 61049669
2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488490
1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 104816313
methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate
CID 104816532
methyl 5-[[(1S)-1-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-2-nitrobenzoate
CID 100642643
1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859154
2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
CID 104816514

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol (CID 104817673) is 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol is COc1cccc(Cl)c1C(CO)Nc1ccc(F)cc1.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol?
The InChIKey is JQOJGKUQLXOEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-20-14-4-2-3-12(16)15(14)13(9-19)18-11-7-5-10(17)6-8-11/h2-8,13,18-19H,9H2,1H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol?
2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol has a molecular weight of 295.74 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol is sourced from PubChem (CID 104817673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).