2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol

C15H15F2NO2 — CID 82815902

IUPAC2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNc2c(F)ccc(C)c2F)c1
InChIInChI=1S/C15H15F2NO2/c1-9-3-5-12(16)15(14(9)17)18-8-10-7-11(20-2)4-6-13(10)19/h3-7,18-19H,8H2,1-2H3
InChIKeyJNJMVPUJQPUBEF-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.60
Rot. Bonds4

About 2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol

2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol (PubChem CID 82815902) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol
PubChem CID82815902
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNc2c(F)ccc(C)c2F)c1
InChIInChI=1S/C15H15F2NO2/c1-9-3-5-12(16)15(14(9)17)18-8-10-7-11(20-2)4-6-13(10)19/h3-7,18-19H,8H2,1-2H3
InChIKeyJNJMVPUJQPUBEF-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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-difluoroanilino)methyl]-4-methoxyphenol
CID 28974217
N-[(2-bromo-5-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818482
2-[(2,6-difluoro-3-methylanilino)methyl]phenol
CID 82815772
2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
CID 28622648
2-[(5-bromo-2-fluoroanilino)methyl]-4-methoxyphenol
CID 43555227
2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol
CID 60925001
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol
CID 60943377
4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43738907
4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol
CID 62867698
2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol
CID 65484698
N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818225
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 114842579

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol (CID 82815902) is 2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol is COc1ccc(O)c(CNc2c(F)ccc(C)c2F)c1.
What is the InChIKey of 2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol?
The InChIKey is JNJMVPUJQPUBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-9-3-5-12(16)15(14(9)17)18-8-10-7-11(20-2)4-6-13(10)19/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol?
2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol has a molecular weight of 279.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol is sourced from PubChem (CID 82815902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).