2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline

C16H18N2O5 — CID 21205906

IUPAC2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
SMILESNc1ccccc1OCCOCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H18N2O5/c17-13-5-1-3-7-15(13)22-11-9-21-10-12-23-16-8-4-2-6-14(16)18(19)20/h1-8H,9-12,17H2
InChIKeyOSUHGEXKMMTAOJ-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.65
Rot. Bonds9

About 2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline

2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline (PubChem CID 21205906) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline.

Molecular Properties

Compound Name2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
PubChem CID21205906
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
SMILESNc1ccccc1OCCOCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H18N2O5/c17-13-5-1-3-7-15(13)22-11-9-21-10-12-23-16-8-4-2-6-14(16)18(19)20/h1-8H,9-12,17H2
InChIKeyOSUHGEXKMMTAOJ-UHFFFAOYSA-N
XLogP2.65
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite
CID 163874008
1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 2283926
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
11-(2-nitrophenoxy)undecan-1-amine
CID 25180908
3-(2-nitrophenoxy)propan-1-ol
CID 18791292
trimethyl-[3-(2-nitrophenoxy)propyl]azanium
CID 57430028
2-(2-nitrophenoxy)ethyl prop-2-enoate
CID 102248252
1-(3,3-dimethylbutoxy)-2-nitrobenzene
CID 112827923
1-(3-methylbutoxy)-2-nitrobenzene
CID 66612844

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline?
The IUPAC name of 2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline (CID 21205906) is 2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline.
What is the SMILES notation for 2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline?
The canonical SMILES for 2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline is Nc1ccccc1OCCOCCOc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline?
The InChIKey is OSUHGEXKMMTAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c17-13-5-1-3-7-15(13)22-11-9-21-10-12-23-16-8-4-2-6-14(16)18(19)20/h1-8H,9-12,17H2.
What are the key properties of 2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline?
2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline has a molecular weight of 318.33 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline is sourced from PubChem (CID 21205906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).