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

C10H14IN3O2 — CID 114900595

IUPACN'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine
SMILESCCN(CCN)c1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14IN3O2/c1-2-13(6-5-12)9-4-3-8(11)7-10(9)14(15)16/h3-4,7H,2,5-6,12H2,1H3
InChIKeyOJATUXYURBNBSK-UHFFFAOYSA-N
MW335.15 g/mol
LogP1.98
Rot. Bonds5

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

N'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine (PubChem CID 114900595) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is N'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine
PubChem CID114900595
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC NameN'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine
SMILESCCN(CCN)c1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14IN3O2/c1-2-13(6-5-12)9-4-3-8(11)7-10(9)14(15)16/h3-4,7H,2,5-6,12H2,1H3
InChIKeyOJATUXYURBNBSK-UHFFFAOYSA-N
XLogP1.98
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 51.98
H-Bond Donors ≤ 51
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'}

Analyze N'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-iodo-2-nitrophenyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661125
2-[N-(carboxymethyl)-4-iodo-2-nitroanilino]acetic acid
CID 66066432
N'-(2-bromo-4-nitrophenyl)-N'-ethylethane-1,2-diamine
CID 114900661
2-(4-iodo-N-methyl-2-nitroanilino)ethanol
CID 66081720
N'-ethyl-N'-(3-methyl-4-nitrophenyl)ethane-1,2-diamine
CID 114900637
3-[2-aminoethyl(ethyl)amino]-N-ethyl-4-nitrobenzamide
CID 114900652
4-[ethyl(propyl)amino]-3-nitrobenzoic acid
CID 43268917
3-(N-ethyl-4-methyl-2-nitroanilino)propanoic acid
CID 61011033
3-(4-iodo-N-methyl-2-nitroanilino)propanoic acid
CID 66066231
N-[2-(aminomethyl)cyclohexyl]-4-iodo-N-methyl-2-nitroaniline
CID 66081514
4-(4-iodo-N-methyl-2-nitroanilino)butan-2-ol
CID 115658302
1-[4-[ethyl(2-hydroxyethyl)amino]-3-nitrophenyl]ethanol
CID 54879711

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine (CID 114900595) is N'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine is CCN(CCN)c1ccc(I)cc1[N+](=O)[O-].
What is the InChIKey of N'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine?
The InChIKey is OJATUXYURBNBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-2-13(6-5-12)9-4-3-8(11)7-10(9)14(15)16/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of N'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine?
N'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine has a molecular weight of 335.15 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 114900595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).