2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol

C15H14ClF2NO — CID 60899627

IUPAC2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-9-5-6-13(10(16)7-9)19-8-14(20)15-11(17)3-2-4-12(15)18/h2-7,14,19-20H,8H2,1H3
InChIKeyPQSOQLNZBLGGSX-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.07
Rot. Bonds4

About 2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol

2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol (PubChem CID 60899627) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
PubChem CID60899627
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-9-5-6-13(10(16)7-9)19-8-14(20)15-11(17)3-2-4-12(15)18/h2-7,14,19-20H,8H2,1H3
InChIKeyPQSOQLNZBLGGSX-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-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60901932
3-chloro-4-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 107807773
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
2-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline
CID 28967830
2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
CID 61074855
1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol
CID 79769099
2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
CID 63489722
2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60900960
1-(2-chloro-4-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60900392
2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901348
2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
CID 82044958

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol (CID 60899627) is 2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol is Cc1ccc(NCC(O)c2c(F)cccc2F)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol?
The InChIKey is PQSOQLNZBLGGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9-5-6-13(10(16)7-9)19-8-14(20)15-11(17)3-2-4-12(15)18/h2-7,14,19-20H,8H2,1H3.
What are the key properties of 2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol?
2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)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 2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 60899627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).