N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline

C14H12F2N2 — CID 9059516

IUPACN-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline
SMILESCc1ccc(N/N=C\c2c(F)cccc2F)cc1
InChIInChI=1S/C14H12F2N2/c1-10-5-7-11(8-6-10)18-17-9-12-13(15)3-2-4-14(12)16/h2-9,18H,1H3/b17-9-
InChIKeyQNUFAGKGLBQGAS-MFOYZWKCSA-N
MW246.26 g/mol
LogP3.72
Rot. Bonds3

About N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline

N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline (PubChem CID 9059516) has the molecular formula C14H12F2N2 and a molecular weight of 246.26 g/mol. Its IUPAC name is N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline
PubChem CID9059516
Molecular FormulaC14H12F2N2
Molecular Weight246.26 g/mol
Exact Mass246.10
IUPAC NameN-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline
SMILESCc1ccc(N/N=C\c2c(F)cccc2F)cc1
InChIInChI=1S/C14H12F2N2/c1-10-5-7-11(8-6-10)18-17-9-12-13(15)3-2-4-14(12)16/h2-9,18H,1H3/b17-9-
InChIKeyQNUFAGKGLBQGAS-MFOYZWKCSA-N
XLogP3.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline?
The IUPAC name of N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline (CID 9059516) is N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline?
The canonical SMILES for N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline is Cc1ccc(N/N=C\c2c(F)cccc2F)cc1.
What is the InChIKey of N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline?
The InChIKey is QNUFAGKGLBQGAS-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H12F2N2/c1-10-5-7-11(8-6-10)18-17-9-12-13(15)3-2-4-14(12)16/h2-9,18H,1H3/b17-9-.
What are the key properties of N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline?
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline has a molecular weight of 246.26 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline is sourced from PubChem (CID 9059516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).