N-benzyl-1-(4-fluorophenyl)methanimine

C14H12FN — CID 10910873

IUPACN-benzyl-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C14H12FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,11H,10H2/b16-11+
InChIKeyHABFBCQZUWJBIJ-LFIBNONCSA-N
MW213.25 g/mol
LogP3.44
Rot. Bonds3

About N-benzyl-1-(4-fluorophenyl)methanimine

N-benzyl-1-(4-fluorophenyl)methanimine (PubChem CID 10910873) has the molecular formula C14H12FN and a molecular weight of 213.25 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)methanimine
PubChem CID10910873
Molecular FormulaC14H12FN
Molecular Weight213.25 g/mol
Exact Mass213.10
IUPAC NameN-benzyl-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C14H12FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,11H,10H2/b16-11+
InChIKeyHABFBCQZUWJBIJ-LFIBNONCSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)methanimine?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)methanimine (CID 10910873) is N-benzyl-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)methanimine?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)methanimine is Fc1ccc(/C=N/Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)methanimine?
The InChIKey is HABFBCQZUWJBIJ-LFIBNONCSA-N. The full InChI is InChI=1S/C14H12FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,11H,10H2/b16-11+.
What are the key properties of N-benzyl-1-(4-fluorophenyl)methanimine?
N-benzyl-1-(4-fluorophenyl)methanimine has a molecular weight of 213.25 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 10910873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).