2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol

C15H15F3N2O3 — CID 78885021

IUPAC2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol
SMILESCOc1ccc(CNc2ccc(OCC(F)(F)F)nc2)cc1O
InChIInChI=1S/C15H15F3N2O3/c1-22-13-4-2-10(6-12(13)21)7-19-11-3-5-14(20-8-11)23-9-15(16,17)18/h2-6,8,19,21H,7,9H2,1H3
InChIKeyKPQYIRJXJLCHOP-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.35
Rot. Bonds6

About 2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol

2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol (PubChem CID 78885021) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol
PubChem CID78885021
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol
SMILESCOc1ccc(CNc2ccc(OCC(F)(F)F)nc2)cc1O
InChIInChI=1S/C15H15F3N2O3/c1-22-13-4-2-10(6-12(13)21)7-19-11-3-5-14(20-8-11)23-9-15(16,17)18/h2-6,8,19,21H,7,9H2,1H3
InChIKeyKPQYIRJXJLCHOP-UHFFFAOYSA-N
XLogP3.35
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[[(6-methyl-3-pyridinyl)amino]methyl]phenol
CID 81498732
N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677152
N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677154
1-[(3,4-dimethoxyphenyl)methyl]-1-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]urea
CID 47041277
2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379922
2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol
CID 69341790
N-[(4-methylsulfinylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 75386395
5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine
CID 133318043
4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 43688357
5-[(4-ethoxy-3-fluoroanilino)methyl]-2-methoxyphenol
CID 115587231
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol (CID 78885021) is 2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol is COc1ccc(CNc2ccc(OCC(F)(F)F)nc2)cc1O.
What is the InChIKey of 2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol?
The InChIKey is KPQYIRJXJLCHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-22-13-4-2-10(6-12(13)21)7-19-11-3-5-14(20-8-11)23-9-15(16,17)18/h2-6,8,19,21H,7,9H2,1H3.
What are the key properties of 2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol?
2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol has a molecular weight of 328.29 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 78885021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).