2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide

C12H18FN3O2 — CID 81055001

IUPAC2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCOCCN(C)c1cccc(F)c1/C(N)=N/O
InChIInChI=1S/C12H18FN3O2/c1-3-18-8-7-16(2)10-6-4-5-9(13)11(10)12(14)15-17/h4-6,17H,3,7-8H2,1-2H3,(H2,14,15)
InChIKeyQKNKQUYJJMAQNF-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.39
Rot. Bonds6

About 2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide

2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 81055001) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID81055001
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCOCCN(C)c1cccc(F)c1/C(N)=N/O
InChIInChI=1S/C12H18FN3O2/c1-3-18-8-7-16(2)10-6-4-5-9(13)11(10)12(14)15-17/h4-6,17H,3,7-8H2,1-2H3,(H2,14,15)
InChIKeyQKNKQUYJJMAQNF-UHFFFAOYSA-N
XLogP1.39
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 79519343
2-[bis(2-ethoxyethyl)amino]-6-fluorobenzenecarbothioamide
CID 82960777
2-[butan-2-yl(2-methoxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519526
2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883323
3-bromo-4-[2-ethoxyethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 82799716
2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79516142
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-fluoro-6-[methyl(2-propan-2-yloxyethyl)amino]benzenecarbothioamide
CID 81055307
2-[ethyl(2-methylbutyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519700
2-bromo-N'-hydroxy-6-[3-methoxypropyl(methyl)amino]benzenecarboximidamide
CID 114883251
3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine
CID 81059669
4-[2-ethoxyethyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017437

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide (CID 81055001) is 2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide is CCOCCN(C)c1cccc(F)c1/C(N)=N/O.
What is the InChIKey of 2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is QKNKQUYJJMAQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-3-18-8-7-16(2)10-6-4-5-9(13)11(10)12(14)15-17/h4-6,17H,3,7-8H2,1-2H3,(H2,14,15).
What are the key properties of 2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide?
2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 255.29 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 81055001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).