2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide

C16H25FN2O — CID 63290946

IUPAC2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COCC(CC)CCCC
InChIInChI=1S/C16H25FN2O/c1-3-5-6-12(4-2)10-20-11-13-7-8-14(17)9-15(13)16(18)19/h7-9,12H,3-6,10-11H2,1-2H3,(H3,18,19)
InChIKeyZITBRHIFZSZRGA-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.84
Rot. Bonds9

About 2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide

2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide (PubChem CID 63290946) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide
PubChem CID63290946
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COCC(CC)CCCC
InChIInChI=1S/C16H25FN2O/c1-3-5-6-12(4-2)10-20-11-13-7-8-14(17)9-15(13)16(18)19/h7-9,12H,3-6,10-11H2,1-2H3,(H3,18,19)
InChIKeyZITBRHIFZSZRGA-UHFFFAOYSA-N
XLogP3.84
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(butoxymethyl)-5-fluorobenzenecarboximidamide
CID 63291033
3-(2-ethylhexoxymethyl)pyridine-2-carboximidamide
CID 62894918
2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
CID 82823576
2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63291072
4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide
CID 114904815
5-fluoro-2-(propan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 63291250
4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide
CID 114208390
5-fluoro-2-[[methyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 63290840
3-bromo-4-(2-ethylhexoxymethyl)aniline
CID 54918608
4-(2-ethylhexoxymethyl)-3-fluorobenzonitrile
CID 43128128
2-[(3,4-dimethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63290640
5-fluoro-2-(methylsulfanylmethyl)benzenecarboximidamide
CID 63291251

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide (CID 63290946) is 2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1COCC(CC)CCCC.
What is the InChIKey of 2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide?
The InChIKey is ZITBRHIFZSZRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-5-6-12(4-2)10-20-11-13-7-8-14(17)9-15(13)16(18)19/h7-9,12H,3-6,10-11H2,1-2H3,(H3,18,19).
What are the key properties of 2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide?
2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide has a molecular weight of 280.39 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63290946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).