N-benzyl-4-fluoroaniline

C13H12FN — CID 913402

IUPACN-benzyl-4-fluoroaniline
SMILESFc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C13H12FN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyVGUGAUNYDBPMQY-UHFFFAOYSA-N
MW201.24 g/mol
LogP3.44
Rot. Bonds3

About N-benzyl-4-fluoroaniline

N-benzyl-4-fluoroaniline (PubChem CID 913402) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is N-benzyl-4-fluoroaniline.

Molecular Properties

Compound NameN-benzyl-4-fluoroaniline
PubChem CID913402
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC NameN-benzyl-4-fluoroaniline
SMILESFc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C13H12FN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyVGUGAUNYDBPMQY-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoroaniline?
The IUPAC name of N-benzyl-4-fluoroaniline (CID 913402) is N-benzyl-4-fluoroaniline.
What is the SMILES notation for N-benzyl-4-fluoroaniline?
The canonical SMILES for N-benzyl-4-fluoroaniline is Fc1ccc(NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-fluoroaniline?
The InChIKey is VGUGAUNYDBPMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2.
What are the key properties of N-benzyl-4-fluoroaniline?
N-benzyl-4-fluoroaniline has a molecular weight of 201.24 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoroaniline is sourced from PubChem (CID 913402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).