2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol

C16H17F2NO2 — CID 63795320

IUPAC2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCc2cc(F)ccc2F)c1
InChIInChI=1S/C16H17F2NO2/c1-10(14-8-13(21-2)4-6-16(14)20)19-9-11-7-12(17)3-5-15(11)18/h3-8,10,19-20H,9H2,1-2H3
InChIKeyODSCKIAEJSRGML-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.53
Rot. Bonds5

About 2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol

2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol (PubChem CID 63795320) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol
PubChem CID63795320
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCc2cc(F)ccc2F)c1
InChIInChI=1S/C16H17F2NO2/c1-10(14-8-13(21-2)4-6-16(14)20)19-9-11-7-12(17)3-5-15(11)18/h3-8,10,19-20H,9H2,1-2H3
InChIKeyODSCKIAEJSRGML-UHFFFAOYSA-N
XLogP3.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.53
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-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol
CID 64682615
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81351233
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[[1-(3-fluorophenyl)ethylamino]methyl]-5-methoxyphenol
CID 61262310
2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol
CID 43110122
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-[[[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-5-methoxyphenol
CID 26336842
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43728649
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol (CID 63795320) is 2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)NCc2cc(F)ccc2F)c1.
What is the InChIKey of 2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol?
The InChIKey is ODSCKIAEJSRGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-10(14-8-13(21-2)4-6-16(14)20)19-9-11-7-12(17)3-5-15(11)18/h3-8,10,19-20H,9H2,1-2H3.
What are the key properties of 2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol?
2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol has a molecular weight of 293.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol is sourced from PubChem (CID 63795320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).