N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline

C15H14F2N2 — CID 9014574

IUPACN-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline
SMILESC/C(=N/Nc1ccccc1C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N2/c1-10-5-3-4-6-15(10)19-18-11(2)12-7-8-13(16)14(17)9-12/h3-9,19H,1-2H3/b18-11-
InChIKeyAEBFVEDSZZZXDP-WQRHYEAKSA-N
MW260.29 g/mol
LogP4.11
Rot. Bonds3

About N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline

N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline (PubChem CID 9014574) has the molecular formula C15H14F2N2 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline
PubChem CID9014574
Molecular FormulaC15H14F2N2
Molecular Weight260.29 g/mol
Exact Mass260.11
IUPAC NameN-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline
SMILESC/C(=N/Nc1ccccc1C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N2/c1-10-5-3-4-6-15(10)19-18-11(2)12-7-8-13(16)14(17)9-12/h3-9,19H,1-2H3/b18-11-
InChIKeyAEBFVEDSZZZXDP-WQRHYEAKSA-N
XLogP4.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 54.11
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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Related Compounds

N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-methylaniline
CID 9014748
N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline
CID 9014681
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-3-nitroaniline
CID 9077213
N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-methylaniline
CID 9014700
5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid
CID 8825867
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 9234157
2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
CID 6176920
2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid
CID 5378627
2-[(2Z)-2-[1-(3,4-difluorophenyl)ethylidene]hydrazinyl]-3-(3-ethoxypropyl)quinazolin-4-one
CID 8984479
2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
CID 3606847
2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 16555887
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline
CID 9058365

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline?
The IUPAC name of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline (CID 9014574) is N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline.
What is the SMILES notation for N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline?
The canonical SMILES for N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline is C/C(=N/Nc1ccccc1C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline?
The InChIKey is AEBFVEDSZZZXDP-WQRHYEAKSA-N. The full InChI is InChI=1S/C15H14F2N2/c1-10-5-3-4-6-15(10)19-18-11(2)12-7-8-13(16)14(17)9-12/h3-9,19H,1-2H3/b18-11-.
What are the key properties of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline?
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline has a molecular weight of 260.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline is sourced from PubChem (CID 9014574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).