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

C15H15FN2O3 — CID 107743283

IUPAC3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(CO)cc2OC)c(F)c1
InChIInChI=1S/C15H15FN2O3/c1-20-14-6-9(8-19)2-4-13(14)21-12-5-3-10(15(17)18)7-11(12)16/h2-7,19H,8H2,1H3,(H3,17,18)
InChIKeyOQGZYWPZNWWKID-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.40
Rot. Bonds5

About 3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide

3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide (PubChem CID 107743283) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
PubChem CID107743283
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(CO)cc2OC)c(F)c1
InChIInChI=1S/C15H15FN2O3/c1-20-14-6-9(8-19)2-4-13(14)21-12-5-3-10(15(17)18)7-11(12)16/h2-7,19H,8H2,1H3,(H3,17,18)
InChIKeyOQGZYWPZNWWKID-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

5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743256
6-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridine-3-carboximidamide
CID 107743265
3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
CID 82240746
4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide
CID 43658562
3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide
CID 107658516
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide
CID 107743296
4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide
CID 81106848
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide
CID 107666516
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine
CID 174712514

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide (CID 107743283) is 3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(CO)cc2OC)c(F)c1.
What is the InChIKey of 3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide?
The InChIKey is OQGZYWPZNWWKID-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(15(17)18)7-11(12)16/h2-7,19H,8H2,1H3,(H3,17,18).
What are the key properties of 3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide?
3-fluoro-4-[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 3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide is sourced from PubChem (CID 107743283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).