4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol

C11H14F3NO3 — CID 82712637

IUPAC4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
SMILESCOc1ccc(O)c(C(C)NOCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO3/c1-7(15-18-6-11(12,13)14)9-5-8(17-2)3-4-10(9)16/h3-5,7,15-16H,6H2,1-2H3
InChIKeyNGLJEHSEUGQESK-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.55
Rot. Bonds5

About 4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol

4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol (PubChem CID 82712637) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
PubChem CID82712637
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
SMILESCOc1ccc(O)c(C(C)NOCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO3/c1-7(15-18-6-11(12,13)14)9-5-8(17-2)3-4-10(9)16/h3-5,7,15-16H,6H2,1-2H3
InChIKeyNGLJEHSEUGQESK-UHFFFAOYSA-N
XLogP2.55
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712048
4-methoxy-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
CID 63827299
5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
CID 82711475
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol
CID 106210945
1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712609
2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
CID 171202696
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
CID 171222254
4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol
CID 113429395
1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712392

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol?
The IUPAC name of 4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol (CID 82712637) is 4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol?
The canonical SMILES for 4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol is COc1ccc(O)c(C(C)NOCC(F)(F)F)c1.
What is the InChIKey of 4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol?
The InChIKey is NGLJEHSEUGQESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-7(15-18-6-11(12,13)14)9-5-8(17-2)3-4-10(9)16/h3-5,7,15-16H,6H2,1-2H3.
What are the key properties of 4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol?
4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol has a molecular weight of 265.23 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol is sourced from PubChem (CID 82712637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).