4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline

C15H23IN2O7 — CID 22448889

IUPAC4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline
SMILESCOCCOCCOCCOCCOc1cc(N)c([N+](=O)[O-])cc1I
InChIInChI=1S/C15H23IN2O7/c1-21-2-3-22-4-5-23-6-7-24-8-9-25-15-11-13(17)14(18(19)20)10-12(15)16/h10-11H,2-9,17H2,1H3
InChIKeyOLPZPSRSMLZHJA-UHFFFAOYSA-N
MW470.26 g/mol
LogP1.86
Rot. Bonds14

About 4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline

4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline (PubChem CID 22448889) has the molecular formula C15H23IN2O7 and a molecular weight of 470.26 g/mol. Its IUPAC name is 4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline.

Molecular Properties

Compound Name4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline
PubChem CID22448889
Molecular FormulaC15H23IN2O7
Molecular Weight470.26 g/mol
Exact Mass470.05
IUPAC Name4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline
SMILESCOCCOCCOCCOCCOc1cc(N)c([N+](=O)[O-])cc1I
InChIInChI=1S/C15H23IN2O7/c1-21-2-3-22-4-5-23-6-7-24-8-9-25-15-11-13(17)14(18(19)20)10-12(15)16/h10-11H,2-9,17H2,1H3
InChIKeyOLPZPSRSMLZHJA-UHFFFAOYSA-N
XLogP1.86
TPSA115.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 67250875
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene
CID 118410599
4-[3-(2-methoxyethoxy)propoxymethyl]-2-nitroaniline
CID 103405418
tert-butyl N-[4-iodo-5-(2-methoxyethoxy)-2-nitrophenyl]carbamate
CID 70002363
2-fluoro-5-[2-(2-methoxyethoxy)ethoxy]-4-nitrobenzoic acid
CID 104699239
4-fluoro-5-[2-(2-methoxyethoxy)ethoxy]-2-nitrobenzoic acid
CID 104560497
[3-(2-methoxyethoxy)-4-nitrophenyl]methanamine
CID 62115319
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitrobenzoyl chloride
CID 71417509
4,5-bis(2-methoxyethoxy)-2-nitrobenzoic acid
CID 23107612
2-amino-5-(2-methoxyethoxy)-4-nitrobenzenesulfonic acid
CID 22766335
4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene
CID 56791150
ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate
CID 11186961

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline?
The IUPAC name of 4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline (CID 22448889) is 4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline.
What is the SMILES notation for 4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline?
The canonical SMILES for 4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline is COCCOCCOCCOCCOc1cc(N)c([N+](=O)[O-])cc1I.
What is the InChIKey of 4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline?
The InChIKey is OLPZPSRSMLZHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O7/c1-21-2-3-22-4-5-23-6-7-24-8-9-25-15-11-13(17)14(18(19)20)10-12(15)16/h10-11H,2-9,17H2,1H3.
What are the key properties of 4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline?
4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline has a molecular weight of 470.26 g/mol, XLogP of 1.86, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline is sourced from PubChem (CID 22448889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).