N-benzyl-2-(benzyliminomethyl)-3-fluoroaniline

C21H19FN2 — CID 22012607

IUPACN-benzyl-2-(benzyliminomethyl)-3-fluoroaniline
SMILESFc1cccc(NCc2ccccc2)c1/C=N/Cc1ccccc1
InChIInChI=1S/C21H19FN2/c22-20-12-7-13-21(24-15-18-10-5-2-6-11-18)19(20)16-23-14-17-8-3-1-4-9-17/h1-13,16,24H,14-15H2/b23-16+
InChIKeyRKPXLLDDDRWGLF-XQNSMLJCSA-N
MW318.40 g/mol
LogP5.06
Rot. Bonds6

About N-benzyl-2-(benzyliminomethyl)-3-fluoroaniline

N-benzyl-2-(benzyliminomethyl)-3-fluoroaniline (PubChem CID 22012607) has the molecular formula C21H19FN2 and a molecular weight of 318.40 g/mol. Its IUPAC name is N-benzyl-2-(benzyliminomethyl)-3-fluoroaniline.

Molecular Properties

Compound NameN-benzyl-2-(benzyliminomethyl)-3-fluoroaniline
PubChem CID22012607
Molecular FormulaC21H19FN2
Molecular Weight318.40 g/mol
Exact Mass318.15
IUPAC NameN-benzyl-2-(benzyliminomethyl)-3-fluoroaniline
SMILESFc1cccc(NCc2ccccc2)c1/C=N/Cc1ccccc1
InChIInChI=1S/C21H19FN2/c22-20-12-7-13-21(24-15-18-10-5-2-6-11-18)19(20)16-23-14-17-8-3-1-4-9-17/h1-13,16,24H,14-15H2/b23-16+
InChIKeyRKPXLLDDDRWGLF-XQNSMLJCSA-N
XLogP5.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-2-(benzyliminomethyl)-3-fluoroaniline?
The IUPAC name of N-benzyl-2-(benzyliminomethyl)-3-fluoroaniline (CID 22012607) is N-benzyl-2-(benzyliminomethyl)-3-fluoroaniline.
What is the SMILES notation for N-benzyl-2-(benzyliminomethyl)-3-fluoroaniline?
The canonical SMILES for N-benzyl-2-(benzyliminomethyl)-3-fluoroaniline is Fc1cccc(NCc2ccccc2)c1/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(benzyliminomethyl)-3-fluoroaniline?
The InChIKey is RKPXLLDDDRWGLF-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H19FN2/c22-20-12-7-13-21(24-15-18-10-5-2-6-11-18)19(20)16-23-14-17-8-3-1-4-9-17/h1-13,16,24H,14-15H2/b23-16+.
What are the key properties of N-benzyl-2-(benzyliminomethyl)-3-fluoroaniline?
N-benzyl-2-(benzyliminomethyl)-3-fluoroaniline has a molecular weight of 318.40 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(benzyliminomethyl)-3-fluoroaniline is sourced from PubChem (CID 22012607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).