5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide

C15H15FN2O3 — CID 107743256

IUPAC5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1ccc(CO)cc1OC
InChIInChI=1S/C15H15FN2O3/c1-20-14-6-9(8-19)2-4-13(14)21-12-5-3-10(16)7-11(12)15(17)18/h2-7,19H,8H2,1H3,(H3,17,18)
InChIKeyQDLSGBJIWUIEME-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.40
Rot. Bonds5

About 5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide

5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide (PubChem CID 107743256) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
PubChem CID107743256
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1ccc(CO)cc1OC
InChIInChI=1S/C15H15FN2O3/c1-20-14-6-9(8-19)2-4-13(14)21-12-5-3-10(16)7-11(12)15(17)18/h2-7,19H,8H2,1H3,(H3,17,18)
InChIKeyQDLSGBJIWUIEME-UHFFFAOYSA-N
XLogP2.40
TPSA88.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743283
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide
CID 107743296
2-(4-ethyl-2-methoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 107664916
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712610
6-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridine-3-carboximidamide
CID 107743265
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide
CID 103174866
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
5-[(4-fluoro-N-methylanilino)methyl]-2-methoxybenzenecarboximidamide
CID 65339992
2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide
CID 63667993

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide (CID 107743256) is 5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1Oc1ccc(CO)cc1OC.
What is the InChIKey of 5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide?
The InChIKey is QDLSGBJIWUIEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-20-14-6-9(8-19)2-4-13(14)21-12-5-3-10(16)7-11(12)15(17)18/h2-7,19H,8H2,1H3,(H3,17,18).
What are the key properties of 5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide?
5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide has a molecular weight of 290.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide is sourced from PubChem (CID 107743256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).