2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

C13H20FN3O2 — CID 76994528

IUPAC2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCN(CCOC)Cc1ccc(F)cc1C(N)=NO
InChIInChI=1S/C13H20FN3O2/c1-3-17(6-7-19-2)9-10-4-5-11(14)8-12(10)13(15)16-18/h4-5,8,18H,3,6-7,9H2,1-2H3,(H2,15,16)
InChIKeyUKHAYORJYGEBHM-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.39
Rot. Bonds7

About 2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 76994528) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID76994528
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCN(CCOC)Cc1ccc(F)cc1C(N)=NO
InChIInChI=1S/C13H20FN3O2/c1-3-17(6-7-19-2)9-10-4-5-11(14)8-12(10)13(15)16-18/h4-5,8,18H,3,6-7,9H2,1-2H3,(H2,15,16)
InChIKeyUKHAYORJYGEBHM-UHFFFAOYSA-N
XLogP1.39
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[bis(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994352
5-fluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]benzenecarboximidamide
CID 76994245
5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 76994379
2-[[bis(2-methylpropyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994337
2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
CID 107907739
5-fluoro-2-[(3-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76994464
4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide
CID 61446080
5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 76994503
[4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorophenyl]boronic acid
CID 54970679
5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
CID 76994345
5-fluoro-N'-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide
CID 76994502
4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline
CID 107208306

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 76994528) is 2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is CCN(CCOC)Cc1ccc(F)cc1C(N)=NO.
What is the InChIKey of 2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is UKHAYORJYGEBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-3-17(6-7-19-2)9-10-4-5-11(14)8-12(10)13(15)16-18/h4-5,8,18H,3,6-7,9H2,1-2H3,(H2,15,16).
What are the key properties of 2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 269.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76994528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).