2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol

C14H23N3O6 — CID 54067877

IUPAC2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol
SMILESO=[N+]([O-])c1c(NCCOCCO)cccc1NCCOCCO
InChIInChI=1S/C14H23N3O6/c18-6-10-22-8-4-15-12-2-1-3-13(14(12)17(20)21)16-5-9-23-11-7-19/h1-3,15-16,18-19H,4-11H2
InChIKeyMEIDJDOQJJEBAK-UHFFFAOYSA-N
MW329.35 g/mol
LogP0.44
Rot. Bonds13

About 2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol

2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol (PubChem CID 54067877) has the molecular formula C14H23N3O6 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol
PubChem CID54067877
Molecular FormulaC14H23N3O6
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Name2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol
SMILESO=[N+]([O-])c1c(NCCOCCO)cccc1NCCOCCO
InChIInChI=1S/C14H23N3O6/c18-6-10-22-8-4-15-12-2-1-3-13(14(12)17(20)21)16-5-9-23-11-7-19/h1-3,15-16,18-19H,4-11H2
InChIKeyMEIDJDOQJJEBAK-UHFFFAOYSA-N
XLogP0.44
TPSA126.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-(2-hydroxyethylamino)-2-nitrophenol
CID 18984055
2-[3-(2-hydroxyethylamino)-2-nitroanilino]ethanol;2-nitrobenzene-1,3-diamine
CID 21278587
3-(2-butoxyethylamino)-2-nitrobenzoic acid
CID 115542375
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-nitroaniline
CID 115698636
2-[3-(2-methyl-3-nitroanilino)propoxy]ethanol
CID 106306790
2-nitro-1-N,3-N-dipropylbenzene-1,3-diamine
CID 80765798
2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol
CID 60646233
2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline
CID 19710464
5-[3-(methylamino)-2-nitroanilino]pentan-1-ol
CID 107324203
2-nitro-3-[2-(2,2,2-trifluoroethoxy)ethylamino]benzonitrile
CID 104717890
N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfonyl-2-nitroaniline
CID 115870352
2-nitro-3-N-(2-propan-2-yloxyethyl)-1-N-propylbenzene-1,3-diamine
CID 104767134

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol?
The IUPAC name of 2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol (CID 54067877) is 2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol is O=[N+]([O-])c1c(NCCOCCO)cccc1NCCOCCO.
What is the InChIKey of 2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol?
The InChIKey is MEIDJDOQJJEBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O6/c18-6-10-22-8-4-15-12-2-1-3-13(14(12)17(20)21)16-5-9-23-11-7-19/h1-3,15-16,18-19H,4-11H2.
What are the key properties of 2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol?
2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol has a molecular weight of 329.35 g/mol, XLogP of 0.44, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol is sourced from PubChem (CID 54067877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).