4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline

C15H15N3O2 — CID 6172968

IUPAC4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
SMILESC/C(Cc1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O2/c1-12(11-13-5-3-2-4-6-13)16-17-14-7-9-15(10-8-14)18(19)20/h2-10,17H,11H2,1H3/b16-12+
InChIKeyONTSJNFEGXJCLQ-FOWTUZBSSA-N
MW269.30 g/mol
LogP3.63
Rot. Bonds5

About 4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline

4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline (PubChem CID 6172968) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline.

Molecular Properties

Compound Name4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
PubChem CID6172968
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
SMILESC/C(Cc1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O2/c1-12(11-13-5-3-2-4-6-13)16-17-14-7-9-15(10-8-14)18(19)20/h2-10,17H,11H2,1H3/b16-12+
InChIKeyONTSJNFEGXJCLQ-FOWTUZBSSA-N
XLogP3.63
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.63
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

4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
[2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate
CID 6269804
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline
CID 165351380
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
CID 12706501
N-(4-nitroanilino)ethanimidoyl cyanide
CID 150448638
3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one
CID 4509710
2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide
CID 2771528
3-benzyl-4,8-dimethyl-7-[(2E)-2-[(4-nitrophenyl)hydrazinylidene]propoxy]chromen-2-one
CID 44669853
N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline
CID 6373786

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline?
The IUPAC name of 4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline (CID 6172968) is 4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline.
What is the SMILES notation for 4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline?
The canonical SMILES for 4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline is C/C(Cc1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline?
The InChIKey is ONTSJNFEGXJCLQ-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-12(11-13-5-3-2-4-6-13)16-17-14-7-9-15(10-8-14)18(19)20/h2-10,17H,11H2,1H3/b16-12+.
What are the key properties of 4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline?
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline has a molecular weight of 269.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline is sourced from PubChem (CID 6172968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).