2-nitro-N-[(E)-1-phenylpropylideneamino]aniline

C15H15N3O2 — CID 6132206

IUPAC2-nitro-N-[(E)-1-phenylpropylideneamino]aniline
SMILESCC/C(=N\Nc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-2-13(12-8-4-3-5-9-12)16-17-14-10-6-7-11-15(14)18(19)20/h3-11,17H,2H2,1H3/b16-13+
InChIKeyPDMPJRRMECSIDE-DTQAZKPQSA-N
MW269.30 g/mol
LogP3.82
Rot. Bonds5

About 2-nitro-N-[(E)-1-phenylpropylideneamino]aniline

2-nitro-N-[(E)-1-phenylpropylideneamino]aniline (PubChem CID 6132206) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-nitro-N-[(E)-1-phenylpropylideneamino]aniline.

Molecular Properties

Compound Name2-nitro-N-[(E)-1-phenylpropylideneamino]aniline
PubChem CID6132206
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-nitro-N-[(E)-1-phenylpropylideneamino]aniline
SMILESCC/C(=N\Nc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-2-13(12-8-4-3-5-9-12)16-17-14-10-6-7-11-15(14)18(19)20/h3-11,17H,2H2,1H3/b16-13+
InChIKeyPDMPJRRMECSIDE-DTQAZKPQSA-N
XLogP3.82
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 ≤ 53.82
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

methyl N-(2-nitrophenyl)propanehydrazonate
CID 27210078
2,4-dinitro-N-[(Z)-1-phenylbutylideneamino]aniline
CID 6105223
3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline
CID 9077469
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-nitroaniline
CID 9059152
N-[(E)-(2-ethoxy-1-phenylethylidene)amino]-2,4-dinitroaniline
CID 134094248
N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline
CID 6326525
2,4-dinitro-N-[1-(4-propan-2-ylphenyl)propylideneamino]aniline
CID 4218707
N-[(E)-3-methylbutan-2-ylideneamino]-2-nitroaniline
CID 12591072
2-methoxy-N-(1-phenylpropylideneamino)aniline
CID 4990913
2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline
CID 6242685
2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline
CID 9059014
(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6306782

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(E)-1-phenylpropylideneamino]aniline?
The IUPAC name of 2-nitro-N-[(E)-1-phenylpropylideneamino]aniline (CID 6132206) is 2-nitro-N-[(E)-1-phenylpropylideneamino]aniline.
What is the SMILES notation for 2-nitro-N-[(E)-1-phenylpropylideneamino]aniline?
The canonical SMILES for 2-nitro-N-[(E)-1-phenylpropylideneamino]aniline is CC/C(=N\Nc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-nitro-N-[(E)-1-phenylpropylideneamino]aniline?
The InChIKey is PDMPJRRMECSIDE-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-13(12-8-4-3-5-9-12)16-17-14-10-6-7-11-15(14)18(19)20/h3-11,17H,2H2,1H3/b16-13+.
What are the key properties of 2-nitro-N-[(E)-1-phenylpropylideneamino]aniline?
2-nitro-N-[(E)-1-phenylpropylideneamino]aniline has a molecular weight of 269.30 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(E)-1-phenylpropylideneamino]aniline is sourced from PubChem (CID 6132206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).