2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine

C11H15N3O5 — CID 66222655

IUPAC2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-19-7-6-12-5-4-9-2-3-10(13(15)16)8-11(9)14(17)18/h2-3,8,12H,4-7H2,1H3
InChIKeyNQBVNXWYIIXVID-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.28
Rot. Bonds8

About 2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine

2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine (PubChem CID 66222655) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine
PubChem CID66222655
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-19-7-6-12-5-4-9-2-3-10(13(15)16)8-11(9)14(17)18/h2-3,8,12H,4-7H2,1H3
InChIKeyNQBVNXWYIIXVID-UHFFFAOYSA-N
XLogP1.28
TPSA107.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine 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-(2-methoxyethyl)-2-(2-methoxy-5-nitrophenyl)ethanamine
CID 62550623
2-[(2-methoxyethylamino)methyl]-5-nitroaniline
CID 68706277
2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine
CID 114048927
2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082616
N'-(2-bromo-4-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83030287
2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide
CID 17359083
1-[4-[4-(2,4-dinitrophenyl)butoxy]butyl]-2,4-dinitrobenzene
CID 140975215
N-[(2,4-dinitrophenyl)methyl]-1-methoxybutan-2-amine
CID 66222001
N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide
CID 115878782
1-(2-fluoroethyl)-2,4-dinitrobenzene
CID 14809005
2-bromo-N-[2-(2-methoxyethylamino)ethyl]-5-nitrobenzamide
CID 83040350
2-(2,4-dinitrophenyl)acetonitrile
CID 5129344

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine (CID 66222655) is 2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine is COCCNCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is NQBVNXWYIIXVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-19-7-6-12-5-4-9-2-3-10(13(15)16)8-11(9)14(17)18/h2-3,8,12H,4-7H2,1H3.
What are the key properties of 2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine?
2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 269.26 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 66222655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).