2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol

C13H20N2O6 — CID 15326147

IUPAC2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol
SMILESCNc1ccc([N+](=O)[O-])cc1OCCOCCOCCO
InChIInChI=1S/C13H20N2O6/c1-14-12-3-2-11(15(17)18)10-13(12)21-9-8-20-7-6-19-5-4-16/h2-3,10,14,16H,4-9H2,1H3
InChIKeyKMRJQDUVWASRLC-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.04
Rot. Bonds11

About 2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol (PubChem CID 15326147) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol
PubChem CID15326147
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol
SMILESCNc1ccc([N+](=O)[O-])cc1OCCOCCOCCO
InChIInChI=1S/C13H20N2O6/c1-14-12-3-2-11(15(17)18)10-13(12)21-9-8-20-7-6-19-5-4-16/h2-3,10,14,16H,4-9H2,1H3
InChIKeyKMRJQDUVWASRLC-UHFFFAOYSA-N
XLogP1.04
TPSA103.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15326148
3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde
CID 14942293
2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
CID 593462
2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 14691830
2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine
CID 103482481
2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline
CID 70584050
2-[2-(2-methoxyethoxy)ethoxy]-4-nitrobenzoic acid
CID 104560476
N-methyl-4-nitro-2-phenoxyaniline
CID 149465718
2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol
CID 91369281
[2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol
CID 176908438
N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-4-nitrobenzamide
CID 104783659
2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol
CID 113362585

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol (CID 15326147) is 2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol is CNc1ccc([N+](=O)[O-])cc1OCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol?
The InChIKey is KMRJQDUVWASRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-14-12-3-2-11(15(17)18)10-13(12)21-9-8-20-7-6-19-5-4-16/h2-3,10,14,16H,4-9H2,1H3.
What are the key properties of 2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol has a molecular weight of 300.31 g/mol, XLogP of 1.04, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 15326147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).