2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol

C15H15ClFNO2 — CID 114454325

IUPAC2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol
SMILESCOc1ccccc1NC(CO)c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H15ClFNO2/c1-20-15-5-3-2-4-13(15)18-14(9-19)10-6-11(16)8-12(17)7-10/h2-8,14,18-19H,9H2,1H3
InChIKeyTYFDJMLBYKGRFJ-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.63
Rot. Bonds5

About 2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol

2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol (PubChem CID 114454325) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol
PubChem CID114454325
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol
SMILESCOc1ccccc1NC(CO)c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H15ClFNO2/c1-20-15-5-3-2-4-13(15)18-14(9-19)10-6-11(16)8-12(17)7-10/h2-8,14,18-19H,9H2,1H3
InChIKeyTYFDJMLBYKGRFJ-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-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol
CID 83230067
N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
CID 43109420
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol
CID 61048365
2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol
CID 65026319
2-(4-chlorophenyl)-2-(2-fluoroanilino)ethanol
CID 61050485
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
2-(3-fluorophenyl)-2-(2-methylanilino)ethanol
CID 61047365
N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
CID 63455009
2-(butan-2-ylamino)-2-(3-chloro-5-fluorophenyl)ethanol
CID 114454318
2-(2-methoxyphenyl)-2-(2-methylanilino)ethanol
CID 61047526
3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide
CID 10980515
2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol
CID 113298240

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol (CID 114454325) is 2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol is COc1ccccc1NC(CO)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol?
The InChIKey is TYFDJMLBYKGRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-20-15-5-3-2-4-13(15)18-14(9-19)10-6-11(16)8-12(17)7-10/h2-8,14,18-19H,9H2,1H3.
What are the key properties of 2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol?
2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)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-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol is sourced from PubChem (CID 114454325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).