2-methoxy-N-(2,4,6-trinitrophenoxy)aniline

C13H10N4O8 — CID 88595157

IUPAC2-methoxy-N-(2,4,6-trinitrophenoxy)aniline
SMILESCOc1ccccc1NOc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C13H10N4O8/c1-24-12-5-3-2-4-9(12)14-25-13-10(16(20)21)6-8(15(18)19)7-11(13)17(22)23/h2-7,14H,1H3
InChIKeyAXIZOXOWYSTECZ-UHFFFAOYSA-N
MW350.24 g/mol
LogP2.83
Rot. Bonds7

About 2-methoxy-N-(2,4,6-trinitrophenoxy)aniline

2-methoxy-N-(2,4,6-trinitrophenoxy)aniline (PubChem CID 88595157) has the molecular formula C13H10N4O8 and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-methoxy-N-(2,4,6-trinitrophenoxy)aniline.

Molecular Properties

Compound Name2-methoxy-N-(2,4,6-trinitrophenoxy)aniline
PubChem CID88595157
Molecular FormulaC13H10N4O8
Molecular Weight350.24 g/mol
Exact Mass350.05
IUPAC Name2-methoxy-N-(2,4,6-trinitrophenoxy)aniline
SMILESCOc1ccccc1NOc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C13H10N4O8/c1-24-12-5-3-2-4-9(12)14-25-13-10(16(20)21)6-8(15(18)19)7-11(13)17(22)23/h2-7,14H,1H3
InChIKeyAXIZOXOWYSTECZ-UHFFFAOYSA-N
XLogP2.83
TPSA159.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

N-(2-methoxy-5-nitrophenyl)-2,4,6-trinitroaniline
CID 3703226
1-N-(2-methoxyphenyl)-4-nitrobenzene-1,3-diamine
CID 106751307
5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine
CID 61375655
2-[(2-methoxyphenyl)carbamoylamino]-5-nitrobenzoic acid
CID 16776347
4-bromo-N-(2-methoxyphenyl)-2-nitroaniline
CID 63462508
N-(2,5-dimethoxyphenyl)-2,4,6-trinitroaniline
CID 4610766
1,2-dimethoxy-4-nitronaphthalene
CID 12579212
2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine;2,4,6-trinitrophenolate
CID 175684338
4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
2-nitro-N-[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
CID 6006376
N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine
CID 59920571
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2,4,6-trinitrophenoxy)aniline?
The IUPAC name of 2-methoxy-N-(2,4,6-trinitrophenoxy)aniline (CID 88595157) is 2-methoxy-N-(2,4,6-trinitrophenoxy)aniline.
What is the SMILES notation for 2-methoxy-N-(2,4,6-trinitrophenoxy)aniline?
The canonical SMILES for 2-methoxy-N-(2,4,6-trinitrophenoxy)aniline is COc1ccccc1NOc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-N-(2,4,6-trinitrophenoxy)aniline?
The InChIKey is AXIZOXOWYSTECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O8/c1-24-12-5-3-2-4-9(12)14-25-13-10(16(20)21)6-8(15(18)19)7-11(13)17(22)23/h2-7,14H,1H3.
What are the key properties of 2-methoxy-N-(2,4,6-trinitrophenoxy)aniline?
2-methoxy-N-(2,4,6-trinitrophenoxy)aniline has a molecular weight of 350.24 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2,4,6-trinitrophenoxy)aniline is sourced from PubChem (CID 88595157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).