N-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline

C18H15N3O3 — CID 5334025

IUPACN-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
SMILESCN(/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1
InChIInChI=1S/C18H15N3O3/c1-20(15-5-3-2-4-6-15)19-13-17-11-12-18(24-17)14-7-9-16(10-8-14)21(22)23/h2-13H,1H3/b19-13+
InChIKeyULIJMUFRLZVTBX-CPNJWEJPSA-N
MW321.34 g/mol
LogP4.33
Rot. Bonds5

About N-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline

N-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline (PubChem CID 5334025) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
PubChem CID5334025
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
SMILESCN(/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1
InChIInChI=1S/C18H15N3O3/c1-20(15-5-3-2-4-6-15)19-13-17-11-12-18(24-17)14-7-9-16(10-8-14)21(22)23/h2-13H,1H3/b19-13+
InChIKeyULIJMUFRLZVTBX-CPNJWEJPSA-N
XLogP4.33
TPSA71.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The IUPAC name of N-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline (CID 5334025) is N-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline.
What is the SMILES notation for N-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The canonical SMILES for N-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline is CN(/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The InChIKey is ULIJMUFRLZVTBX-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-20(15-5-3-2-4-6-15)19-13-17-11-12-18(24-17)14-7-9-16(10-8-14)21(22)23/h2-13H,1H3/b19-13+.
What are the key properties of N-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
N-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline has a molecular weight of 321.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline is sourced from PubChem (CID 5334025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).