2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol

C15H15F2NO2 — CID 61076797

IUPAC2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)Nc2cccc(F)c2F)c(O)c1
InChIInChI=1S/C15H15F2NO2/c1-9(11-7-6-10(20-2)8-14(11)19)18-13-5-3-4-12(16)15(13)17/h3-9,18-19H,1-2H3
InChIKeyAOSNGNVVAIGIJT-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.85
Rot. Bonds4

About 2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol

2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol (PubChem CID 61076797) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol
PubChem CID61076797
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)Nc2cccc(F)c2F)c(O)c1
InChIInChI=1S/C15H15F2NO2/c1-9(11-7-6-10(20-2)8-14(11)19)18-13-5-3-4-12(16)15(13)17/h3-9,18-19H,1-2H3
InChIKeyAOSNGNVVAIGIJT-UHFFFAOYSA-N
XLogP3.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 61074846
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol
CID 43201643
2-[1-(2,4-dibromoanilino)ethyl]-5-methoxyphenol
CID 43683000
2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 61075545
2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol
CID 43733549
2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-methoxyphenol
CID 104726376
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methoxyphenol
CID 43168127
4-[1-(2,3,5-trifluoroanilino)ethyl]benzene-1,3-diol
CID 62811107
2-[1-(3-ethynylanilino)ethyl]-5-methoxyphenol
CID 43200553
5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
CID 43371792
2-[1-(4-bromo-2,5-difluoroanilino)ethyl]-4-methoxyphenol
CID 107609953

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol (CID 61076797) is 2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol is COc1ccc(C(C)Nc2cccc(F)c2F)c(O)c1.
What is the InChIKey of 2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol?
The InChIKey is AOSNGNVVAIGIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-9(11-7-6-10(20-2)8-14(11)19)18-13-5-3-4-12(16)15(13)17/h3-9,18-19H,1-2H3.
What are the key properties of 2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol?
2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol has a molecular weight of 279.29 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol is sourced from PubChem (CID 61076797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).