2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol

C15H14Cl2FNO — CID 104726068

IUPAC2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol
SMILESCc1cc(Cl)c(NC(C)c2ccc(F)cc2O)cc1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-8-5-13(17)14(7-12(8)16)19-9(2)11-4-3-10(18)6-15(11)20/h3-7,9,19-20H,1-2H3
InChIKeyVKQJMEYFWZWCNV-UHFFFAOYSA-N
MW314.19 g/mol
LogP5.32
Rot. Bonds3

About 2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol

2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol (PubChem CID 104726068) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol
PubChem CID104726068
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol
SMILESCc1cc(Cl)c(NC(C)c2ccc(F)cc2O)cc1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-8-5-13(17)14(7-12(8)16)19-9(2)11-4-3-10(18)6-15(11)20/h3-7,9,19-20H,1-2H3
InChIKeyVKQJMEYFWZWCNV-UHFFFAOYSA-N
XLogP5.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.19
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-chloro-4-methylanilino)ethyl]-5-fluorophenol
CID 63064776
2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-methoxyphenol
CID 104726376
3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 63064990
4-[1-(2-bromo-5-chloro-4-methylanilino)ethyl]benzene-1,3-diol
CID 104722788
2-[1-(4-bromo-2,3-dichloroanilino)ethyl]-5-fluorophenol
CID 107787782
2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol
CID 63066349
2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol
CID 104584071
5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
CID 63069226
2-[1-(4-bromo-3,5-dimethylanilino)ethyl]-5-fluorophenol
CID 107572030
3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol
CID 43790193
2-[1-(2-bromo-5-chloro-4-methylanilino)ethyl]phenol
CID 104722699
2-[1-(2-tert-butylanilino)ethyl]-5-fluorophenol
CID 63064456

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol (CID 104726068) is 2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol is Cc1cc(Cl)c(NC(C)c2ccc(F)cc2O)cc1Cl.
What is the InChIKey of 2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol?
The InChIKey is VKQJMEYFWZWCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-8-5-13(17)14(7-12(8)16)19-9(2)11-4-3-10(18)6-15(11)20/h3-7,9,19-20H,1-2H3.
What are the key properties of 2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol?
2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol has a molecular weight of 314.19 g/mol, XLogP of 5.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol is sourced from PubChem (CID 104726068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).