N'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine

C11H16IN3O3 — CID 83029878

IUPACN'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNc1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16IN3O3/c1-18-7-6-13-4-5-14-10-3-2-9(12)8-11(10)15(16)17/h2-3,8,13-14H,4-7H2,1H3
InChIKeyXZHSNUWNZBKLEG-UHFFFAOYSA-N
MW365.17 g/mol
LogP1.85
Rot. Bonds8

About N'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine

N'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 83029878) has the molecular formula C11H16IN3O3 and a molecular weight of 365.17 g/mol. Its IUPAC name is N'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID83029878
Molecular FormulaC11H16IN3O3
Molecular Weight365.17 g/mol
Exact Mass365.02
IUPAC NameN'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNc1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16IN3O3/c1-18-7-6-13-4-5-14-10-3-2-9(12)8-11(10)15(16)17/h2-3,8,13-14H,4-7H2,1H3
InChIKeyXZHSNUWNZBKLEG-UHFFFAOYSA-N
XLogP1.85
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

4-iodo-N-(3-methoxypropyl)-2-nitroaniline
CID 60767123
N-(2-methoxyethyl)-N'-(4-methoxy-2-nitrophenyl)ethane-1,2-diamine
CID 83030382
N-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 66082684
N-(2,3-dimethoxypropyl)-4-iodo-2-nitroaniline
CID 113368842
4-methoxy-N-(2-methoxyethyl)-2-nitroaniline
CID 28549886
4-chloro-N-(2-methoxyethyl)-2-nitroaniline
CID 28542742
N-(4-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27825616
4-iodo-N-[2-(4-methoxyphenyl)ethyl]-2-nitroaniline
CID 66065256
3-(4-iodo-2-nitroanilino)propyl acetate
CID 126688448
4-iodo-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 66064095
N'-(2-bromo-4-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83030287
4-iodo-2-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 60971159

Frequently Asked Questions

What is the IUPAC name of N'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 83029878) is N'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine is COCCNCCNc1ccc(I)cc1[N+](=O)[O-].
What is the InChIKey of N'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is XZHSNUWNZBKLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O3/c1-18-7-6-13-4-5-14-10-3-2-9(12)8-11(10)15(16)17/h2-3,8,13-14H,4-7H2,1H3.
What are the key properties of N'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
N'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 365.17 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 83029878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).