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

C8H10IN3O2 — CID 66093261

IUPACN'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine
SMILESNCCNc1ccc([N+](=O)[O-])cc1I
InChIInChI=1S/C8H10IN3O2/c9-7-5-6(12(13)14)1-2-8(7)11-4-3-10/h1-2,5,11H,3-4,10H2
InChIKeyCOPJKJQRDUXXSS-UHFFFAOYSA-N
MW307.09 g/mol
LogP1.57
Rot. Bonds4

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

N'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine (PubChem CID 66093261) has the molecular formula C8H10IN3O2 and a molecular weight of 307.09 g/mol. Its IUPAC name is N'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine
PubChem CID66093261
Molecular FormulaC8H10IN3O2
Molecular Weight307.09 g/mol
Exact Mass306.98
IUPAC NameN'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine
SMILESNCCNc1ccc([N+](=O)[O-])cc1I
InChIInChI=1S/C8H10IN3O2/c9-7-5-6(12(13)14)1-2-8(7)11-4-3-10/h1-2,5,11H,3-4,10H2
InChIKeyCOPJKJQRDUXXSS-UHFFFAOYSA-N
XLogP1.57
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N-(2-fluoroethyl)-2-iodo-4-nitroaniline
CID 130504221
N-[2-(4-aminophenyl)ethyl]-2-iodo-4-nitroaniline
CID 66094531
N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine
CID 57324403
N'-(2-iodo-4-nitrophenyl)-N-propylethane-1,2-diamine
CID 66093913
2-iodo-4-nitro-N-octylaniline
CID 115568882
N-(2-iodo-4-nitrophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 66094909
2-iodo-4-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 66095940
2-iodo-4-nitro-N-prop-2-ynylaniline
CID 66093900
2-N-(2-iodo-4-nitrophenyl)propane-1,2-diamine
CID 66093085
2-iodo-4-nitro-N-(2-thiomorpholin-4-ylethyl)aniline
CID 106326044
2-iodo-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitroaniline
CID 114468800
2-iodo-4-nitro-N-(2-pyrrolidin-3-ylethyl)aniline
CID 66095966

Frequently Asked Questions

What is the IUPAC name of N'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine (CID 66093261) is N'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine is NCCNc1ccc([N+](=O)[O-])cc1I.
What is the InChIKey of N'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine?
The InChIKey is COPJKJQRDUXXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O2/c9-7-5-6(12(13)14)1-2-8(7)11-4-3-10/h1-2,5,11H,3-4,10H2.
What are the key properties of N'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine?
N'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine has a molecular weight of 307.09 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 66093261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).