2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol

C14H12F3NO2 — CID 58752919

IUPAC2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol
SMILESCOc1ccc(CNc2c(F)cc(F)cc2F)cc1O
InChIInChI=1S/C14H12F3NO2/c1-20-13-3-2-8(4-12(13)19)7-18-14-10(16)5-9(15)6-11(14)17/h2-6,18-19H,7H2,1H3
InChIKeySINHKXZTWTVOCP-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.43
Rot. Bonds4

About 2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol

2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol (PubChem CID 58752919) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol
PubChem CID58752919
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol
SMILESCOc1ccc(CNc2c(F)cc(F)cc2F)cc1O
InChIInChI=1S/C14H12F3NO2/c1-20-13-3-2-8(4-12(13)19)7-18-14-10(16)5-9(15)6-11(14)17/h2-6,18-19H,7H2,1H3
InChIKeySINHKXZTWTVOCP-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[(2,3,5-trifluoroanilino)methyl]phenol
CID 62810508
2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol
CID 39370195
5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol
CID 107633247
5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol
CID 28939098
5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 43547406
5-[(4-ethoxy-3-fluoroanilino)methyl]-2-methoxyphenol
CID 115587231
5-[(2-fluoro-4-nitroanilino)methyl]-2-methoxyphenol
CID 60964784
5-[(3-chloro-4-fluorophenyl)methylamino]-2-methoxyphenol
CID 81145856
2-methoxy-5-[[(6-methyl-3-pyridinyl)amino]methyl]phenol
CID 81498732
2-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107467113
N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline
CID 43229828
5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
CID 43180801

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol?
The IUPAC name of 2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol (CID 58752919) is 2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol?
The canonical SMILES for 2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol is COc1ccc(CNc2c(F)cc(F)cc2F)cc1O.
What is the InChIKey of 2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol?
The InChIKey is SINHKXZTWTVOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-20-13-3-2-8(4-12(13)19)7-18-14-10(16)5-9(15)6-11(14)17/h2-6,18-19H,7H2,1H3.
What are the key properties of 2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol?
2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol has a molecular weight of 283.25 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol is sourced from PubChem (CID 58752919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).