2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine

C12H16N2O2 — CID 140784257

IUPAC2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine
SMILESCCc1cccc([N+](=O)[O-])c1C=CN(C)C
InChIInChI=1S/C12H16N2O2/c1-4-10-6-5-7-12(14(15)16)11(10)8-9-13(2)3/h5-9H,4H2,1-3H3
InChIKeyFOTXJRBTYCMABB-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.69
Rot. Bonds4

About 2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine

2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine (PubChem CID 140784257) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine
PubChem CID140784257
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine
SMILESCCc1cccc([N+](=O)[O-])c1C=CN(C)C
InChIInChI=1S/C12H16N2O2/c1-4-10-6-5-7-12(14(15)16)11(10)8-9-13(2)3/h5-9H,4H2,1-3H3
InChIKeyFOTXJRBTYCMABB-UHFFFAOYSA-N
XLogP2.69
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine 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

(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine
CID 23248110
(E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine
CID 88921202
(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
CID 91001187
1-ethyl-2-nitrobenzene;(2-nitrophenyl)methanesulfonyl chloride
CID 160906769
2-(bromomethyl)-1-ethyl-3-nitrobenzene
CID 129096805
N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 70295850
N-[2-(dimethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 133061058
(Z)-N,N-dimethyl-2-(4-nitro-1-oxidopyridin-1-ium-3-yl)ethenamine
CID 56777234
1,1-dimethyl-2-[2-(2-nitrophenyl)ethyl]hydrazine
CID 83014156
3-(4-butan-2-ylphenyl)-2-[2-[(E)-2-(dimethylamino)ethenyl]-3-nitrophenyl]quinazolin-4-one
CID 87407082
(E)-(2,6-diethylphenyl)-[(2,6-diethylphenyl)-oxidoazaniumylidene]-oxidoazanium
CID 135743957
N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide
CID 75522296

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine?
The IUPAC name of 2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine (CID 140784257) is 2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine.
What is the SMILES notation for 2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine?
The canonical SMILES for 2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine is CCc1cccc([N+](=O)[O-])c1C=CN(C)C.
What is the InChIKey of 2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine?
The InChIKey is FOTXJRBTYCMABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-10-6-5-7-12(14(15)16)11(10)8-9-13(2)3/h5-9H,4H2,1-3H3.
What are the key properties of 2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine?
2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine has a molecular weight of 220.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine is sourced from PubChem (CID 140784257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).