N-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline

C10H14N6O3 — CID 20752290

IUPACN-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline
SMILES[N-]=[N+]=Nc1ccc(NCCOCCN)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N6O3/c11-3-5-19-6-4-13-9-2-1-8(14-15-12)7-10(9)16(17)18/h1-2,7,13H,3-6,11H2
InChIKeyDVYLCRXEWGXEQB-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.92
Rot. Bonds8

About N-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline

N-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline (PubChem CID 20752290) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline
PubChem CID20752290
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline
SMILES[N-]=[N+]=Nc1ccc(NCCOCCN)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N6O3/c11-3-5-19-6-4-13-9-2-1-8(14-15-12)7-10(9)16(17)18/h1-2,7,13H,3-6,11H2
InChIKeyDVYLCRXEWGXEQB-UHFFFAOYSA-N
XLogP1.92
TPSA139.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-azido-2-nitroanilino)ethyl N-(2-oxoethyl)carbamate
CID 171595365
N-[2-(2-aminoethylsulfanylsulfonyl)ethyl]-4-azido-2-nitroaniline
CID 118467419
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-bromo-2-nitroaniline
CID 135259095
2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline
CID 153397252
N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine
CID 3036564
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanol;3-bromoprop-1-yne;2,4-dinitro-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]aniline;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
CID 161425578
4-azido-1-(18F)fluoro-2-nitrobenzene
CID 10607486
3-[(4-azido-2-nitroanilino)methyl]benzaldehyde
CID 176786733
(2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 23582363
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,6-dinitroaniline
CID 135258913
4-iodo-2-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 60971159
(2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)-3,4-dihydroxyhexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 175895889

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline (CID 20752290) is N-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline is [N-]=[N+]=Nc1ccc(NCCOCCN)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline?
The InChIKey is DVYLCRXEWGXEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3/c11-3-5-19-6-4-13-9-2-1-8(14-15-12)7-10(9)16(17)18/h1-2,7,13H,3-6,11H2.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline?
N-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline has a molecular weight of 266.26 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline is sourced from PubChem (CID 20752290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).