1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol

C15H14ClF2NO — CID 82818248

IUPAC1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol
SMILESCc1ccc(F)c(NCC(O)c2ccccc2Cl)c1F
InChIInChI=1S/C15H14ClF2NO/c1-9-6-7-12(17)15(14(9)18)19-8-13(20)10-4-2-3-5-11(10)16/h2-7,13,19-20H,8H2,1H3
InChIKeyXEANYSKGHWSWIB-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.07
Rot. Bonds4

About 1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol

1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol (PubChem CID 82818248) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol
PubChem CID82818248
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol
SMILESCc1ccc(F)c(NCC(O)c2ccccc2Cl)c1F
InChIInChI=1S/C15H14ClF2NO/c1-9-6-7-12(17)15(14(9)18)19-8-13(20)10-4-2-3-5-11(10)16/h2-7,13,19-20H,8H2,1H3
InChIKeyXEANYSKGHWSWIB-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol
CID 82801499
1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol
CID 60896928
2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol
CID 63490045
2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
3-(2,6-difluoro-3-methylanilino)propane-1,2-diol
CID 82850159
2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395
2-(3-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107365115
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
CID 111451028
2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107528287
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
CID 81271280

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol (CID 82818248) is 1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol is Cc1ccc(F)c(NCC(O)c2ccccc2Cl)c1F.
What is the InChIKey of 1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol?
The InChIKey is XEANYSKGHWSWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9-6-7-12(17)15(14(9)18)19-8-13(20)10-4-2-3-5-11(10)16/h2-7,13,19-20H,8H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol?
1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol has a molecular weight of 297.73 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol is sourced from PubChem (CID 82818248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).