N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline

C14H13N3O3 — CID 6051173

IUPACN-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline
SMILESCOc1ccccc1/C=N\Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O3/c1-20-14-8-3-2-5-11(14)10-15-16-12-6-4-7-13(9-12)17(18)19/h2-10,16H,1H3/b15-10-
InChIKeyPKLIJTUEARPFQA-GDNBJRDFSA-N
MW271.28 g/mol
LogP3.05
Rot. Bonds5

About N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline

N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline (PubChem CID 6051173) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline.

Molecular Properties

Compound NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline
PubChem CID6051173
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline
SMILESCOc1ccccc1/C=N\Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O3/c1-20-14-8-3-2-5-11(14)10-15-16-12-6-4-7-13(9-12)17(18)19/h2-10,16H,1H3/b15-10-
InChIKeyPKLIJTUEARPFQA-GDNBJRDFSA-N
XLogP3.05
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
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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Related Compounds

N-[(2-methylphenyl)methylideneamino]-3-nitroaniline
CID 4617596
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 9077620
N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 3290260
N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-nitroaniline
CID 110842221
3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 6294934
N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842185
2-methoxy-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 136733461
N-[(E)-ethylideneamino]-3-nitroaniline
CID 13200787
N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090224
N-[(E)-[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]aniline
CID 126087402
4-N-(4-methoxyphenyl)-2-N-[(2-methoxyphenyl)methylideneamino]-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 4913580
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-nitroaniline
CID 6174360

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline?
The IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline (CID 6051173) is N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline.
What is the SMILES notation for N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline?
The canonical SMILES for N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline is COc1ccccc1/C=N\Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline?
The InChIKey is PKLIJTUEARPFQA-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-20-14-8-3-2-5-11(14)10-15-16-12-6-4-7-13(9-12)17(18)19/h2-10,16H,1H3/b15-10-.
What are the key properties of N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline?
N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline has a molecular weight of 271.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline is sourced from PubChem (CID 6051173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).