2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride

C15H16ClFN2O — CID 82240740

IUPAC2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1COCc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O.ClH/c16-13-7-5-11(6-8-13)9-19-10-12-3-1-2-4-14(12)15(17)18;/h1-8H,9-10H2,(H3,17,18);1H
InChIKeyWTBYAUDOWRKDJK-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.25
Rot. Bonds5

About 2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride

2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride (PubChem CID 82240740) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
PubChem CID82240740
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1COCc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O.ClH/c16-13-7-5-11(6-8-13)9-19-10-12-3-1-2-4-14(12)15(17)18;/h1-8H,9-10H2,(H3,17,18);1H
InChIKeyWTBYAUDOWRKDJK-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-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240742
2-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 80502922
2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
CID 82823576
2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
CID 55168136
4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 106791330
2-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331316
2-(2-thiophen-2-ylethoxymethyl)benzenecarboximidamide
CID 54966720
2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63291072
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658905
2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 107118124
2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
2-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 62196027

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
The IUPAC name of 2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride (CID 82240740) is 2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccccc1COCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
The InChIKey is WTBYAUDOWRKDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O.ClH/c16-13-7-5-11(6-8-13)9-19-10-12-3-1-2-4-14(12)15(17)18;/h1-8H,9-10H2,(H3,17,18);1H.
What are the key properties of 2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
2-[(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 2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82240740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).