2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol

C14H13F2NO2 — CID 28974217

IUPAC2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNc2c(F)cccc2F)c1
InChIInChI=1S/C14H13F2NO2/c1-19-10-5-6-13(18)9(7-10)8-17-14-11(15)3-2-4-12(14)16/h2-7,17-18H,8H2,1H3
InChIKeyNBSKYHAGZOQMBU-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.29
Rot. Bonds4

About 2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol

2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol (PubChem CID 28974217) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol
PubChem CID28974217
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNc2c(F)cccc2F)c1
InChIInChI=1S/C14H13F2NO2/c1-19-10-5-6-13(18)9(7-10)8-17-14-11(15)3-2-4-12(14)16/h2-7,17-18H,8H2,1H3
InChIKeyNBSKYHAGZOQMBU-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.29
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-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol
CID 82815902
2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol
CID 60925001
2-[(5-bromo-2-fluoroanilino)methyl]-4-methoxyphenol
CID 43555227
2-[(2-ethylanilino)methyl]-4-methoxyphenol
CID 28617814
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
CID 62222408
4-methoxy-2-[(3-nitroanilino)methyl]phenol
CID 43717902
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol
CID 60943377
2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol
CID 107678999
2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
CID 107272130
2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
CID 28622648
2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol
CID 65484698
2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol
CID 28725691

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol (CID 28974217) is 2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol is COc1ccc(O)c(CNc2c(F)cccc2F)c1.
What is the InChIKey of 2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol?
The InChIKey is NBSKYHAGZOQMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-19-10-5-6-13(18)9(7-10)8-17-14-11(15)3-2-4-12(14)16/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol?
2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol has a molecular weight of 265.26 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol is sourced from PubChem (CID 28974217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).