N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline

C16H17N3O2 — CID 9059030

IUPACN-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline
SMILESC/C(=N/Nc1ccccc1[N+](=O)[O-])c1cc(C)ccc1C
InChIInChI=1S/C16H17N3O2/c1-11-8-9-12(2)14(10-11)13(3)17-18-15-6-4-5-7-16(15)19(20)21/h4-10,18H,1-3H3/b17-13-
InChIKeyMKAIJSWVKQJVFR-LGMDPLHJSA-N
MW283.33 g/mol
LogP4.05
Rot. Bonds4

About N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline

N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline (PubChem CID 9059030) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline
PubChem CID9059030
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline
SMILESC/C(=N/Nc1ccccc1[N+](=O)[O-])c1cc(C)ccc1C
InChIInChI=1S/C16H17N3O2/c1-11-8-9-12(2)14(10-11)13(3)17-18-15-6-4-5-7-16(15)19(20)21/h4-10,18H,1-3H3/b17-13-
InChIKeyMKAIJSWVKQJVFR-LGMDPLHJSA-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

2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline
CID 9059014
2-[(Z)-C-methyl-N-(2-nitroanilino)carbonimidoyl]phenol
CID 135403129
2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide
CID 17397799
2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]benzene-1,3-diol;hydrate
CID 139083211
2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol
CID 135716763
N-[(E)-3-methylbutan-2-ylideneamino]-2-nitroaniline
CID 12591072
2-nitro-N-[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
CID 6006376
N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline
CID 6326525
2-nitro-N-[(E)-1-phenylpropylideneamino]aniline
CID 6132206
N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline
CID 3579160
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-nitroaniline
CID 9059152
4-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135684512

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline?
The IUPAC name of N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline (CID 9059030) is N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline.
What is the SMILES notation for N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline?
The canonical SMILES for N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline is C/C(=N/Nc1ccccc1[N+](=O)[O-])c1cc(C)ccc1C.
What is the InChIKey of N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline?
The InChIKey is MKAIJSWVKQJVFR-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-8-9-12(2)14(10-11)13(3)17-18-15-6-4-5-7-16(15)19(20)21/h4-10,18H,1-3H3/b17-13-.
What are the key properties of N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline?
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-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-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline is sourced from PubChem (CID 9059030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).