2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide

C14H13FN2O — CID 62308673

IUPAC2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Oc1ccc(F)cc1
InChIInChI=1S/C14H13FN2O/c1-9-2-7-12(14(16)17)13(8-9)18-11-5-3-10(15)4-6-11/h2-8H,1H3,(H3,16,17)
InChIKeyWYZIMMYILOKKSM-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.21
Rot. Bonds3

About 2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide

2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide (PubChem CID 62308673) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
PubChem CID62308673
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Oc1ccc(F)cc1
InChIInChI=1S/C14H13FN2O/c1-9-2-7-12(14(16)17)13(8-9)18-11-5-3-10(15)4-6-11/h2-8H,1H3,(H3,16,17)
InChIKeyWYZIMMYILOKKSM-UHFFFAOYSA-N
XLogP3.21
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.21
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

4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 81332379
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939029
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794
4-methoxy-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 81299836
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide
CID 62308166
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarboximidamide
CID 64601574
2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide
CID 107536662
2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide
CID 55057065

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide (CID 62308673) is 2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide?
The InChIKey is WYZIMMYILOKKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9-2-7-12(14(16)17)13(8-9)18-11-5-3-10(15)4-6-11/h2-8H,1H3,(H3,16,17).
What are the key properties of 2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide?
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide has a molecular weight of 244.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62308673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).