4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol

C16H18FNO3 — CID 82958062

IUPAC4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN(C)c2ccccc2F)cc(OC)c1O
InChIInChI=1S/C16H18FNO3/c1-18(13-7-5-4-6-12(13)17)10-11-8-14(20-2)16(19)15(9-11)21-3/h4-9,19H,10H2,1-3H3
InChIKeyNTKLPKZBAQGOKS-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.18
Rot. Bonds5

About 4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol

4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol (PubChem CID 82958062) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol
PubChem CID82958062
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN(C)c2ccccc2F)cc(OC)c1O
InChIInChI=1S/C16H18FNO3/c1-18(13-7-5-4-6-12(13)17)10-11-8-14(20-2)16(19)15(9-11)21-3/h4-9,19H,10H2,1-3H3
InChIKeyNTKLPKZBAQGOKS-UHFFFAOYSA-N
XLogP3.18
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluoro-N-methylanilino)methyl]phenol
CID 82978376
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol
CID 104667270
4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol
CID 82981844
2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol
CID 112616199
N-[(3,4-dimethoxyphenyl)methyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-methylacetamide
CID 99952322
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
CID 82978276
2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 78971012
2-[(3,4-dimethoxyphenyl)methyl-methylamino]benzonitrile
CID 78913551
4-[(2-fluorophenoxy)methyl]-2-methoxyphenol
CID 117220257
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
CID 60965802
2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62434557

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol (CID 82958062) is 4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol is COc1cc(CN(C)c2ccccc2F)cc(OC)c1O.
What is the InChIKey of 4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol?
The InChIKey is NTKLPKZBAQGOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-18(13-7-5-4-6-12(13)17)10-11-8-14(20-2)16(19)15(9-11)21-3/h4-9,19H,10H2,1-3H3.
What are the key properties of 4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol?
4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol has a molecular weight of 291.32 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 82958062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).