2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide

C15H21FN2O2 — CID 77034372

IUPAC2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCC(Oc2cccc(F)c2C(N)=NO)C1
InChIInChI=1S/C15H21FN2O2/c1-2-10-5-3-6-11(9-10)20-13-8-4-7-12(16)14(13)15(17)18-19/h4,7-8,10-11,19H,2-3,5-6,9H2,1H3,(H2,17,18)
InChIKeyPQFDIJAZSYEOTI-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.27
Rot. Bonds4

About 2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide

2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 77034372) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID77034372
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCC(Oc2cccc(F)c2C(N)=NO)C1
InChIInChI=1S/C15H21FN2O2/c1-2-10-5-3-6-11(9-10)20-13-8-4-7-12(16)14(13)15(17)18-19/h4,7-8,10-11,19H,2-3,5-6,9H2,1H3,(H2,17,18)
InChIKeyPQFDIJAZSYEOTI-UHFFFAOYSA-N
XLogP3.27
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77008777
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034498
2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 62496519
1-chloro-2-(3-ethylcyclohexyl)oxybenzene
CID 64763442
2-cycloheptyloxy-6-fluorobenzenecarbothioamide
CID 79519678
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 115958688
4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline
CID 114416205
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958827
2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 115281262
5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline
CID 66109591
3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 82827360

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide (CID 77034372) is 2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide is CCC1CCCC(Oc2cccc(F)c2C(N)=NO)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is PQFDIJAZSYEOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-10-5-3-6-11(9-10)20-13-8-4-7-12(16)14(13)15(17)18-19/h4,7-8,10-11,19H,2-3,5-6,9H2,1H3,(H2,17,18).
What are the key properties of 2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide?
2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 280.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77034372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).