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

C17H28N2O8 — CID 15326148

IUPAC2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCNc1ccc([N+](=O)[O-])cc1OCCOCCOCCOCCOCCO
InChIInChI=1S/C17H28N2O8/c1-18-16-3-2-15(19(21)22)14-17(16)27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-20/h2-3,14,18,20H,4-13H2,1H3
InChIKeyRMHMCHPQMDAJKZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.07
Rot. Bonds17

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

2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 15326148) has the molecular formula C17H28N2O8 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID15326148
Molecular FormulaC17H28N2O8
Molecular Weight388.42 g/mol
Exact Mass388.18
IUPAC Name2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCNc1ccc([N+](=O)[O-])cc1OCCOCCOCCOCCOCCO
InChIInChI=1S/C17H28N2O8/c1-18-16-3-2-15(19(21)22)14-17(16)27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-20/h2-3,14,18,20H,4-13H2,1H3
InChIKeyRMHMCHPQMDAJKZ-UHFFFAOYSA-N
XLogP1.07
TPSA121.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol
CID 15326147
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-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 15326148) is 2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CNc1ccc([N+](=O)[O-])cc1OCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is RMHMCHPQMDAJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O8/c1-18-16-3-2-15(19(21)22)14-17(16)27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-20/h2-3,14,18,20H,4-13H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 388.42 g/mol, XLogP of 1.07, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 15326148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).