N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline

C16H17F2N3 — CID 9058365

IUPACN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline
SMILESC/C(=N/Nc1ccc(F)cc1F)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H17F2N3/c1-11(12-4-7-14(8-5-12)21(2)3)19-20-16-9-6-13(17)10-15(16)18/h4-10,20H,1-3H3/b19-11-
InChIKeySVVFVFBUFRAYMY-ODLFYWEKSA-N
MW289.33 g/mol
LogP3.87
Rot. Bonds4

About N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline

N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline (PubChem CID 9058365) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline
PubChem CID9058365
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline
SMILESC/C(=N/Nc1ccc(F)cc1F)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H17F2N3/c1-11(12-4-7-14(8-5-12)21(2)3)19-20-16-9-6-13(17)10-15(16)18/h4-10,20H,1-3H3/b19-11-
InChIKeySVVFVFBUFRAYMY-ODLFYWEKSA-N
XLogP3.87
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline
CID 4067906
2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 18224635
N-(2,4-difluorophenyl)-4-fluorobenzenecarbohydrazonoyl chloride
CID 145433145
(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid
CID 21298987
4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 9015378
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013557
2-[4-[(Z)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenoxy]-1-piperidin-1-ylethanone
CID 9058315
4-chloro-3-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 8974194
4-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]-2-(piperidin-1-ylmethyl)phenol
CID 135588191
2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol
CID 5237787
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 139082946
6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
CID 72577519

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline?
The IUPAC name of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline (CID 9058365) is N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline.
What is the SMILES notation for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline?
The canonical SMILES for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline is C/C(=N/Nc1ccc(F)cc1F)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline?
The InChIKey is SVVFVFBUFRAYMY-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H17F2N3/c1-11(12-4-7-14(8-5-12)21(2)3)19-20-16-9-6-13(17)10-15(16)18/h4-10,20H,1-3H3/b19-11-.
What are the key properties of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline?
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline has a molecular weight of 289.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline is sourced from PubChem (CID 9058365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).