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

C10H14IN3O2 — CID 66093674

IUPACN'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1ccc([N+](=O)[O-])cc1I
InChIInChI=1S/C10H14IN3O2/c1-12-5-6-13(2)10-4-3-8(14(15)16)7-9(10)11/h3-4,7,12H,5-6H2,1-2H3
InChIKeyFZDMRZZSNOVKFM-UHFFFAOYSA-N
MW335.15 g/mol
LogP1.86
Rot. Bonds5

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

N'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 66093674) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is N'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID66093674
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC NameN'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1ccc([N+](=O)[O-])cc1I
InChIInChI=1S/C10H14IN3O2/c1-12-5-6-13(2)10-4-3-8(14(15)16)7-9(10)11/h3-4,7,12H,5-6H2,1-2H3
InChIKeyFZDMRZZSNOVKFM-UHFFFAOYSA-N
XLogP1.86
TPSA58.41 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

2-(2-iodo-N-methyl-4-nitroanilino)ethanol
CID 66093920
1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol
CID 79389473
methyl 3-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropanoate
CID 66092888
N'-[(2,4-dinitrophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 66221146
N-(2-iodo-4-nitrophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 66094909
2-iodo-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119504337
3-[methyl-[2-(methylamino)ethyl]amino]-2-nitrobenzonitrile
CID 104717472
N'-(3-methoxy-5-nitrophenyl)-N,N'-dimethylethane-1,2-diamine
CID 80736689
2-[methyl(3-methylbutyl)amino]-5-nitrobenzonitrile
CID 113224878
2-[methyl(propyl)amino]-5-nitrobenzaldehyde
CID 43271406
N'-methyl-N'-(2-methyl-4-nitrophenyl)propane-1,3-diamine
CID 115319475
N-methyl-2-[methyl(3-methylbutyl)amino]-5-nitrobenzamide
CID 87021168

Frequently Asked Questions

What is the IUPAC name of N'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine (CID 66093674) is N'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1ccc([N+](=O)[O-])cc1I.
What is the InChIKey of N'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is FZDMRZZSNOVKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-12-5-6-13(2)10-4-3-8(14(15)16)7-9(10)11/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of N'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine?
N'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 335.15 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 66093674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).