2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide

C15H15FN2O — CID 43609327

IUPAC2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1OCc1cccc(C)c1
InChIInChI=1S/C15H15FN2O/c1-10-4-2-5-11(8-10)9-19-13-7-3-6-12(16)14(13)15(17)18/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyCXVUYJLJXFPMKN-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.00
Rot. Bonds4

About 2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide

2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide (PubChem CID 43609327) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide
PubChem CID43609327
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1OCc1cccc(C)c1
InChIInChI=1S/C15H15FN2O/c1-10-4-2-5-11(8-10)9-19-13-7-3-6-12(16)14(13)15(17)18/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyCXVUYJLJXFPMKN-UHFFFAOYSA-N
XLogP3.00
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.00
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-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
CID 43609384
3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide
CID 64853652
2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79523185
2,6-difluoro-3-[(3-methylphenyl)methoxy]benzamide;ethane
CID 143542803
2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide
CID 64566908
2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide
CID 82240685
3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
CID 79520315
2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323483
2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 102724554

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide (CID 43609327) is 2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1OCc1cccc(C)c1.
What is the InChIKey of 2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide?
The InChIKey is CXVUYJLJXFPMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-4-2-5-11(8-10)9-19-13-7-3-6-12(16)14(13)15(17)18/h2-8H,9H2,1H3,(H3,17,18).
What are the key properties of 2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide?
2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide has a molecular weight of 258.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 43609327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).