4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline

C25H19FN2 — CID 23851446

IUPAC4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline
SMILESFc1ccccc1/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19FN2/c26-24-13-7-8-14-25(24)27-19-20-15-17-23(18-16-20)28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-19H/b27-19+
InChIKeyVXMQWOBAIKNQQF-ZXVVBBHZSA-N
MW366.44 g/mol
LogP7.05
Rot. Bonds5

About 4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline

4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline (PubChem CID 23851446) has the molecular formula C25H19FN2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline
PubChem CID23851446
Molecular FormulaC25H19FN2
Molecular Weight366.44 g/mol
Exact Mass366.15
IUPAC Name4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline
SMILESFc1ccccc1/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19FN2/c26-24-13-7-8-14-25(24)27-19-20-15-17-23(18-16-20)28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-19H/b27-19+
InChIKeyVXMQWOBAIKNQQF-ZXVVBBHZSA-N
XLogP7.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 57.05
H-Bond Donors ≤ 50
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 4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline (CID 23851446) is 4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline is Fc1ccccc1/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline?
The InChIKey is VXMQWOBAIKNQQF-ZXVVBBHZSA-N. The full InChI is InChI=1S/C25H19FN2/c26-24-13-7-8-14-25(24)27-19-20-15-17-23(18-16-20)28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-19H/b27-19+.
What are the key properties of 4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline?
4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline has a molecular weight of 366.44 g/mol, XLogP of 7.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline is sourced from PubChem (CID 23851446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).