2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol

C15H14Cl2FNO — CID 104726864

IUPAC2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
SMILESCc1cc(Cl)c(NCC(O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-9-6-13(17)14(7-12(9)16)19-8-15(20)10-2-4-11(18)5-3-10/h2-7,15,19-20H,8H2,1H3
InChIKeyHQYJBOZCYVHBII-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.59
Rot. Bonds4

About 2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol

2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol (PubChem CID 104726864) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
PubChem CID104726864
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
SMILESCc1cc(Cl)c(NCC(O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-9-6-13(17)14(7-12(9)16)19-8-15(20)10-2-4-11(18)5-3-10/h2-7,15,19-20H,8H2,1H3
InChIKeyHQYJBOZCYVHBII-UHFFFAOYSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
CID 104723407
2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 107528194
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
1-(2,5-dichloro-4-methylanilino)butan-2-ol
CID 104726754
2,5-dichloro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 113445808
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
CID 60720002
4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile
CID 107528274
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
CID 107620086

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol (CID 104726864) is 2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol is Cc1cc(Cl)c(NCC(O)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol?
The InChIKey is HQYJBOZCYVHBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-9-6-13(17)14(7-12(9)16)19-8-15(20)10-2-4-11(18)5-3-10/h2-7,15,19-20H,8H2,1H3.
What are the key properties of 2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol?
2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol has a molecular weight of 314.19 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 104726864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).