N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline

C20H16N4O6 — CID 169383316

IUPACN-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline
SMILESCOc1cc(C=NNc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C20H16N4O6/c1-29-20-11-14(13-21-22-15-5-3-2-4-6-15)7-9-19(20)30-18-10-8-16(23(25)26)12-17(18)24(27)28/h2-13,22H,1H3
InChIKeyANVBFPXVMUOZOR-UHFFFAOYSA-N
MW408.37 g/mol
LogP4.75
Rot. Bonds8

About N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline

N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline (PubChem CID 169383316) has the molecular formula C20H16N4O6 and a molecular weight of 408.37 g/mol. Its IUPAC name is N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline
PubChem CID169383316
Molecular FormulaC20H16N4O6
Molecular Weight408.37 g/mol
Exact Mass408.11
IUPAC NameN-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline
SMILESCOc1cc(C=NNc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C20H16N4O6/c1-29-20-11-14(13-21-22-15-5-3-2-4-6-15)7-9-19(20)30-18-10-8-16(23(25)26)12-17(18)24(27)28/h2-13,22H,1H3
InChIKeyANVBFPXVMUOZOR-UHFFFAOYSA-N
XLogP4.75
TPSA129.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 6131990
N-[(E)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 5334769
N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3381074
N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 126111745
1-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-3-ethylthiourea
CID 126375833
2-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627486
N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 4520832
N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 40963712
2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 110842113
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 139068939
3-bromo-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]benzamide
CID 71951551
N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-2-(4-methylanilino)acetamide
CID 41285235

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline (CID 169383316) is N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline is COc1cc(C=NNc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline?
The InChIKey is ANVBFPXVMUOZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O6/c1-29-20-11-14(13-21-22-15-5-3-2-4-6-15)7-9-19(20)30-18-10-8-16(23(25)26)12-17(18)24(27)28/h2-13,22H,1H3.
What are the key properties of N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline?
N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline has a molecular weight of 408.37 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline is sourced from PubChem (CID 169383316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).