N'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide

C15H15FN2 — CID 134865879

IUPACN'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide
SMILESFc1ccc(CN/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C15H15FN2/c16-15-8-6-14(7-9-15)11-18-12-17-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,17,18)
InChIKeyWJFHGOHQYWHFCW-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.14
Rot. Bonds5

About N'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide

N'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide (PubChem CID 134865879) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is N'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide.

Molecular Properties

Compound NameN'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide
PubChem CID134865879
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC NameN'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide
SMILESFc1ccc(CN/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C15H15FN2/c16-15-8-6-14(7-9-15)11-18-12-17-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,17,18)
InChIKeyWJFHGOHQYWHFCW-UHFFFAOYSA-N
XLogP3.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Bethanidine
CID 2368
Dibenzylamine
CID 7656
2-Fluoro-N-methylbenzylamine
CID 2060842
Benzyl[(4-fluorophenyl)methyl]amine
CID 784761
2-Phenyl-1,4,5,6-tetrahydropyrimidine
CID 408156
Benzenemethanamine, 3-fluoro-N-methyl-
CID 457577
1-(4-fluorophenyl)-N-methylmethanamine
CID 736860
1,2-Dibenzylguanidine
CID 33142
2-(3-fluorophenyl)-4,5-dihydro-1H-Imidazole
CID 21819953
1-(Diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine
CID 83032501
4-Fluorobenzylguanidine
CID 2544654
N-benzyl-2-(2-fluorophenyl)ethanamine
CID 1817797

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide?
The IUPAC name of N'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide (CID 134865879) is N'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide.
What is the SMILES notation for N'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide?
The canonical SMILES for N'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide is Fc1ccc(CN/C=N/Cc2ccccc2)cc1.
What is the InChIKey of N'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide?
The InChIKey is WJFHGOHQYWHFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c16-15-8-6-14(7-9-15)11-18-12-17-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,17,18).
What are the key properties of N'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide?
N'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide has a molecular weight of 242.30 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide is sourced from PubChem (CID 134865879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).