4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide

C15H16FN3O — CID 57454340

IUPAC4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide
SMILESNCc1ccc(/C(N)=N/OCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FN3O/c16-14-7-3-12(4-8-14)10-20-19-15(18)13-5-1-11(9-17)2-6-13/h1-8H,9-10,17H2,(H2,18,19)
InChIKeyIAZGPPHRXAUJII-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.12
Rot. Bonds5

About 4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide

4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide (PubChem CID 57454340) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide
PubChem CID57454340
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide
SMILESNCc1ccc(/C(N)=N/OCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FN3O/c16-14-7-3-12(4-8-14)10-20-19-15(18)13-5-1-11(9-17)2-6-13/h1-8H,9-10,17H2,(H2,18,19)
InChIKeyIAZGPPHRXAUJII-UHFFFAOYSA-N
XLogP2.12
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile
CID 4564672
5-(2,4-Difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 2998681
4-((Benzyloxy)methyl)benzene-1-carboximidamide hydrochloride
CID 47002447
N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide
CID 9661090
N'-hydroxy-N-phenylmethoxybenzenecarboximidamide
CID 135083152
N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 75939506
6-(4-Fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 592212
4-(aminomethyl)-3-fluoro-N'-propoxybenzenecarboximidamide
CID 22985353
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 43165095
3-Fluoro-4-(hydroxymethyl)benzenecarboximidamide
CID 43165102
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzimidamide
CID 50941129
3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 58083443

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide (CID 57454340) is 4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide is NCc1ccc(/C(N)=N/OCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is IAZGPPHRXAUJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-14-7-3-12(4-8-14)10-20-19-15(18)13-5-1-11(9-17)2-6-13/h1-8H,9-10,17H2,(H2,18,19).
What are the key properties of 4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide?
4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide has a molecular weight of 273.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 57454340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).