2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide

C14H14FN3O — CID 143262005

IUPAC2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(F)ccc2OC)cc1N
InChIInChI=1S/C14H14FN3O/c1-19-13-5-3-9(15)7-11(13)8-2-4-10(14(17)18)12(16)6-8/h2-7H,16H2,1H3,(H3,17,18)
InChIKeyXGLWZTNCPPIBRE-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.37
Rot. Bonds3

About 2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide

2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide (PubChem CID 143262005) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide
PubChem CID143262005
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(F)ccc2OC)cc1N
InChIInChI=1S/C14H14FN3O/c1-19-13-5-3-9(15)7-11(13)8-2-4-10(14(17)18)12(16)6-8/h2-7H,16H2,1H3,(H3,17,18)
InChIKeyXGLWZTNCPPIBRE-UHFFFAOYSA-N
XLogP2.37
TPSA85.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide?
The IUPAC name of 2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide (CID 143262005) is 2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide.
What is the SMILES notation for 2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide?
The canonical SMILES for 2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cc(F)ccc2OC)cc1N.
What is the InChIKey of 2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide?
The InChIKey is XGLWZTNCPPIBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-19-13-5-3-9(15)7-11(13)8-2-4-10(14(17)18)12(16)6-8/h2-7H,16H2,1H3,(H3,17,18).
What are the key properties of 2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide?
2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide has a molecular weight of 259.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide is sourced from PubChem (CID 143262005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).