3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide

C15H15FN2O — CID 64853652

IUPAC3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2cc(C)ccc2F)c1
InChIInChI=1S/C15H15FN2O/c1-10-5-6-13(16)14(7-10)19-9-11-3-2-4-12(8-11)15(17)18/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyAEKGJSQCLWYGMT-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.00
Rot. Bonds4

About 3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide

3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide (PubChem CID 64853652) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide
PubChem CID64853652
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2cc(C)ccc2F)c1
InChIInChI=1S/C15H15FN2O/c1-10-5-6-13(16)14(7-10)19-9-11-3-2-4-12(8-11)15(17)18/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyAEKGJSQCLWYGMT-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

3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24709656
3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
3-[(2,4,6-trimethylphenoxy)methyl]benzenecarboximidamide
CID 61218400
2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 43609327
3-[(4-bromo-2-methylphenoxy)methyl]benzenecarboximidamide
CID 63216529
3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 107666580
3-[[5-[(3-ethanimidoylphenyl)methoxy]naphthalen-1-yl]oxymethyl]benzenecarboximidamide
CID 143028132
3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 82918831
[3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]boronic acid
CID 64855051
3-[(5-chloro-2-nitrophenoxy)methyl]benzenecarboximidamide
CID 62305355
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide?
The IUPAC name of 3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide (CID 64853652) is 3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide?
The canonical SMILES for 3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(COc2cc(C)ccc2F)c1.
What is the InChIKey of 3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide?
The InChIKey is AEKGJSQCLWYGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-5-6-13(16)14(7-10)19-9-11-3-2-4-12(8-11)15(17)18/h2-8H,9H2,1H3,(H3,17,18).
What are the key properties of 3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide?
3-[(2-fluoro-5-methylphenoxy)methyl]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 3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide is sourced from PubChem (CID 64853652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).