N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline

C16H17N3O2 — CID 3579160

IUPACN-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C
InChIInChI=1S/C16H17N3O2/c1-11-4-9-16(12(2)10-11)13(3)17-18-14-5-7-15(8-6-14)19(20)21/h4-10,18H,1-3H3
InChIKeyJYEGPGJYEOADKX-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.05
Rot. Bonds4

About N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline

N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline (PubChem CID 3579160) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline
PubChem CID3579160
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C
InChIInChI=1S/C16H17N3O2/c1-11-4-9-16(12(2)10-11)13(3)17-18-14-5-7-15(8-6-14)19(20)21/h4-10,18H,1-3H3
InChIKeyJYEGPGJYEOADKX-UHFFFAOYSA-N
XLogP4.05
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)ethylideneamino]-4-nitroaniline
CID 607339
4-tert-butyl-2-[(Z)-C-methyl-N-(4-nitroanilino)carbonimidoyl]phenol
CID 136671588
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
N-(4-nitroanilino)ethanimidoyl cyanide
CID 150448638
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
4-[(2Z)-2-[1-(2,5-dimethylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 9012816
1-[(2,4-dimethylbenzoyl)amino]-3-(4-nitrophenyl)thiourea
CID 8616415
2-chloro-5-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]benzoic acid
CID 4300959
4-N-(2,4-dimethylphenyl)-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 46501140
2-[(E)-N-(4-carboxyanilino)-C-methylcarbonimidoyl]-4-methylphenolate
CID 135823955
4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline
CID 2831871
[2-(4-nitroanilino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 7373332

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline (CID 3579160) is N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline is CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline?
The InChIKey is JYEGPGJYEOADKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-4-9-16(12(2)10-11)13(3)17-18-14-5-7-15(8-6-14)19(20)21/h4-10,18H,1-3H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline?
N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline has a molecular weight of 283.33 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline is sourced from PubChem (CID 3579160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).