2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol

C15H15F2NO — CID 60900960

IUPAC2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2cccc(F)c2)c(F)c1
InChIInChI=1S/C15H15F2NO/c1-10-5-6-14(13(17)7-10)18-9-15(19)11-3-2-4-12(16)8-11/h2-8,15,18-19H,9H2,1H3
InChIKeyXAQNTDZRIVEDST-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.42
Rot. Bonds4

About 2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol

2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol (PubChem CID 60900960) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
PubChem CID60900960
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2cccc(F)c2)c(F)c1
InChIInChI=1S/C15H15F2NO/c1-10-5-6-14(13(17)7-10)18-9-15(19)11-3-2-4-12(16)8-11/h2-8,15,18-19H,9H2,1H3
InChIKeyXAQNTDZRIVEDST-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901348
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901542
2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978
2-(2-bromoanilino)-1-(3-fluorophenyl)ethanol
CID 60897612
1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
CID 60900233
2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60900596
1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81355439
1-(3-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81355811
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol (CID 60900960) is 2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol is Cc1ccc(NCC(O)c2cccc(F)c2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol?
The InChIKey is XAQNTDZRIVEDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-5-6-14(13(17)7-10)18-9-15(19)11-3-2-4-12(16)8-11/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol?
2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol has a molecular weight of 263.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 60900960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).