N-[1-(3,4-difluorophenyl)ethylideneamino]aniline

C14H12F2N2 — CID 139030631

IUPACN-[1-(3,4-difluorophenyl)ethylideneamino]aniline
SMILESCC(=NNc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2N2/c1-10(11-7-8-13(15)14(16)9-11)17-18-12-5-3-2-4-6-12/h2-9,18H,1H3
InChIKeyPJJXJNTVAAOVNX-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.80
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethylideneamino]aniline

N-[1-(3,4-difluorophenyl)ethylideneamino]aniline (PubChem CID 139030631) has the molecular formula C14H12F2N2 and a molecular weight of 246.26 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethylideneamino]aniline.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethylideneamino]aniline
PubChem CID139030631
Molecular FormulaC14H12F2N2
Molecular Weight246.26 g/mol
Exact Mass246.10
IUPAC NameN-[1-(3,4-difluorophenyl)ethylideneamino]aniline
SMILESCC(=NNc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2N2/c1-10(11-7-8-13(15)14(16)9-11)17-18-12-5-3-2-4-6-12/h2-9,18H,1H3
InChIKeyPJJXJNTVAAOVNX-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
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-[1-(3,4-difluorophenyl)ethylideneamino]aniline?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethylideneamino]aniline (CID 139030631) is N-[1-(3,4-difluorophenyl)ethylideneamino]aniline.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethylideneamino]aniline?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethylideneamino]aniline is CC(=NNc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethylideneamino]aniline?
The InChIKey is PJJXJNTVAAOVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2/c1-10(11-7-8-13(15)14(16)9-11)17-18-12-5-3-2-4-6-12/h2-9,18H,1H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethylideneamino]aniline?
N-[1-(3,4-difluorophenyl)ethylideneamino]aniline has a molecular weight of 246.26 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethylideneamino]aniline is sourced from PubChem (CID 139030631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).