N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline

C15H15N3O4 — CID 169384053

IUPACN-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1C=NNc1ccccc1
InChIInChI=1S/C15H15N3O4/c1-21-14-9-13(18(19)20)15(22-2)8-11(14)10-16-17-12-6-4-3-5-7-12/h3-10,17H,1-2H3
InChIKeyMHZDWCYITDQUIM-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.06
Rot. Bonds6

About N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline

N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline (PubChem CID 169384053) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline
PubChem CID169384053
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1C=NNc1ccccc1
InChIInChI=1S/C15H15N3O4/c1-21-14-9-13(18(19)20)15(22-2)8-11(14)10-16-17-12-6-4-3-5-7-12/h3-10,17H,1-2H3
InChIKeyMHZDWCYITDQUIM-UHFFFAOYSA-N
XLogP3.06
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluoroaniline
CID 9076217
2-methoxy-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 136733461
2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide
CID 126393565
3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline
CID 9058963
N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline
CID 169383316
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 6051173
N-[(5-ethoxy-4-methoxy-2-nitrophenyl)methylideneamino]-4-fluoroaniline
CID 110840825
N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 6031902
2,4-dinitro-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6282029
2,4-dinitro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 5139236
N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]aniline
CID 110504876

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline?
The IUPAC name of N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline (CID 169384053) is N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline is COc1cc([N+](=O)[O-])c(OC)cc1C=NNc1ccccc1.
What is the InChIKey of N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline?
The InChIKey is MHZDWCYITDQUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-21-14-9-13(18(19)20)15(22-2)8-11(14)10-16-17-12-6-4-3-5-7-12/h3-10,17H,1-2H3.
What are the key properties of N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline?
N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline has a molecular weight of 301.30 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline is sourced from PubChem (CID 169384053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).