N-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline

C14H13IN2O2 — CID 106493948

IUPACN-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline
SMILESCc1cccc(Nc2ccc([N+](=O)[O-])c(I)c2)c1C
InChIInChI=1S/C14H13IN2O2/c1-9-4-3-5-13(10(9)2)16-11-6-7-14(17(18)19)12(15)8-11/h3-8,16H,1-2H3
InChIKeyYGRROJSKZQAJIU-UHFFFAOYSA-N
MW368.17 g/mol
LogP4.56
Rot. Bonds3

About N-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline

N-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline (PubChem CID 106493948) has the molecular formula C14H13IN2O2 and a molecular weight of 368.17 g/mol. Its IUPAC name is N-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline.

Molecular Properties

Compound NameN-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline
PubChem CID106493948
Molecular FormulaC14H13IN2O2
Molecular Weight368.17 g/mol
Exact Mass368.00
IUPAC NameN-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline
SMILESCc1cccc(Nc2ccc([N+](=O)[O-])c(I)c2)c1C
InChIInChI=1S/C14H13IN2O2/c1-9-4-3-5-13(10(9)2)16-11-6-7-14(17(18)19)12(15)8-11/h3-8,16H,1-2H3
InChIKeyYGRROJSKZQAJIU-UHFFFAOYSA-N
XLogP4.56
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-chloro-2-methylphenyl)-3-iodo-4-nitroaniline
CID 114256275
4-bromo-N-(3-iodo-4-nitrophenyl)-3,5-dimethylaniline
CID 107576779
N-(4-tert-butylphenyl)-3-iodo-4-nitroaniline
CID 106493911
3-(2,3-dimethylanilino)-4-nitrobenzoic acid
CID 82769872
N-(3-iodo-4-nitrophenyl)-1,5-dimethylpyrazol-3-amine
CID 114253810
2,4,6-trifluoro-N-(3-iodo-4-nitrophenyl)aniline
CID 106494562
N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide
CID 102740891
3-chloro-4-(3-iodo-4-nitroanilino)benzonitrile
CID 107809568
3-fluoro-4-methyl-N-(2-nitrophenyl)aniline
CID 7779028
3-chloro-4-methyl-N-(2-nitrophenyl)aniline
CID 12710588
N-(4-bromo-3-methoxyphenyl)-3-iodo-4-nitroaniline
CID 106494681
3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline
CID 106493352

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline?
The IUPAC name of N-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline (CID 106493948) is N-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline.
What is the SMILES notation for N-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline?
The canonical SMILES for N-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline is Cc1cccc(Nc2ccc([N+](=O)[O-])c(I)c2)c1C.
What is the InChIKey of N-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline?
The InChIKey is YGRROJSKZQAJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O2/c1-9-4-3-5-13(10(9)2)16-11-6-7-14(17(18)19)12(15)8-11/h3-8,16H,1-2H3.
What are the key properties of N-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline?
N-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline has a molecular weight of 368.17 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline is sourced from PubChem (CID 106493948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).