N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline

C14H13N3O3 — CID 3290260

IUPACN-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline
SMILESCOc1ccc(C=NNc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H13N3O3/c1-20-14-7-5-11(6-8-14)10-15-16-12-3-2-4-13(9-12)17(18)19/h2-10,16H,1H3
InChIKeyZRUDONJKWPIOAY-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.05
Rot. Bonds5

About N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline

N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline (PubChem CID 3290260) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline
PubChem CID3290260
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline
SMILESCOc1ccc(C=NNc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H13N3O3/c1-20-14-7-5-11(6-8-14)10-15-16-12-3-2-4-13(9-12)17(18)19/h2-10,16H,1H3
InChIKeyZRUDONJKWPIOAY-UHFFFAOYSA-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

4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
CID 110509079
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]-3-nitroaniline
CID 110842350
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 9077620
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-3-nitroaniline
CID 5213001
3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline
CID 5110407
3-nitro-N-[(4-propan-2-ylsulfanylphenyl)methylideneamino]aniline
CID 110842339
3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 9077514
N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 6051173
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 110517273
N-[(3-ethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842391
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-3-nitroaniline
CID 9077545
N-[(E)-ethylideneamino]-3-nitroaniline
CID 13200787

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline?
The IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline (CID 3290260) is N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline.
What is the SMILES notation for N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline?
The canonical SMILES for N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline is COc1ccc(C=NNc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline?
The InChIKey is ZRUDONJKWPIOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-20-14-7-5-11(6-8-14)10-15-16-12-3-2-4-13(9-12)17(18)19/h2-10,16H,1H3.
What are the key properties of N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline?
N-[(4-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-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline is sourced from PubChem (CID 3290260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).