4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride

C15H16ClFN2O — CID 82240742

IUPAC4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(COCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FN2O.ClH/c16-14-7-3-12(4-8-14)10-19-9-11-1-5-13(6-2-11)15(17)18;/h1-8H,9-10H2,(H3,17,18);1H
InChIKeyZWYXJTOOQDUCIM-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.25
Rot. Bonds5

About 4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride

4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride (PubChem CID 82240742) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
PubChem CID82240742
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(COCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FN2O.ClH/c16-14-7-3-12(4-8-14)10-19-9-11-1-5-13(6-2-11)15(17)18;/h1-8H,9-10H2,(H3,17,18);1H
InChIKeyZWYXJTOOQDUCIM-UHFFFAOYSA-N
XLogP3.25
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.25
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-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240740
4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
CID 24703974
4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253711
4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide
CID 29004868
acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 75537360
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
4-(hexoxymethyl)benzenecarboximidamide
CID 29003065
4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
CID 116689241
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253913

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride (CID 82240742) is 4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(COCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
The InChIKey is ZWYXJTOOQDUCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O.ClH/c16-14-7-3-12(4-8-14)10-19-9-11-1-5-13(6-2-11)15(17)18;/h1-8H,9-10H2,(H3,17,18);1H.
What are the key properties of 4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride has a molecular weight of 294.76 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82240742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).