4,5-dimethoxy-2-nitro-N-phenylaniline

C14H14N2O4 — CID 22004113

IUPAC4,5-dimethoxy-2-nitro-N-phenylaniline
SMILESCOc1cc(Nc2ccccc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C14H14N2O4/c1-19-13-8-11(15-10-6-4-3-5-7-10)12(16(17)18)9-14(13)20-2/h3-9,15H,1-2H3
InChIKeyMTSZTAFPGNGJLL-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.36
Rot. Bonds5

About 4,5-dimethoxy-2-nitro-N-phenylaniline

4,5-dimethoxy-2-nitro-N-phenylaniline (PubChem CID 22004113) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4,5-dimethoxy-2-nitro-N-phenylaniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-nitro-N-phenylaniline
PubChem CID22004113
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4,5-dimethoxy-2-nitro-N-phenylaniline
SMILESCOc1cc(Nc2ccccc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C14H14N2O4/c1-19-13-8-11(15-10-6-4-3-5-7-10)12(16(17)18)9-14(13)20-2/h3-9,15H,1-2H3
InChIKeyMTSZTAFPGNGJLL-UHFFFAOYSA-N
XLogP3.36
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4,5-dimethoxy-2-nitrophenyl)-3-phenylurea
CID 110446745
2,4,5-trimethoxy-N-phenylaniline
CID 151522704
4,5-dichloro-2-nitro-N-phenylaniline
CID 12930158
4-(4-methoxyphenyl)-2-nitro-N-phenylaniline
CID 54070021
4-anilino-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 27537881
(4,5-dimethoxy-2-nitrophenyl)hydrazine
CID 11435818
5-chloro-2,4-dinitro-N-phenylaniline
CID 22749530
5-chloro-4-methyl-2-nitro-N-phenylaniline
CID 67032404
4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
CID 46551142
methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate
CID 110459513
carbon dioxide;4-methyl-2-nitro-N-phenylaniline
CID 91236628
N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline
CID 169384053

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-nitro-N-phenylaniline?
The IUPAC name of 4,5-dimethoxy-2-nitro-N-phenylaniline (CID 22004113) is 4,5-dimethoxy-2-nitro-N-phenylaniline.
What is the SMILES notation for 4,5-dimethoxy-2-nitro-N-phenylaniline?
The canonical SMILES for 4,5-dimethoxy-2-nitro-N-phenylaniline is COc1cc(Nc2ccccc2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-nitro-N-phenylaniline?
The InChIKey is MTSZTAFPGNGJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-19-13-8-11(15-10-6-4-3-5-7-10)12(16(17)18)9-14(13)20-2/h3-9,15H,1-2H3.
What are the key properties of 4,5-dimethoxy-2-nitro-N-phenylaniline?
4,5-dimethoxy-2-nitro-N-phenylaniline has a molecular weight of 274.28 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-nitro-N-phenylaniline is sourced from PubChem (CID 22004113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).