N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine

C11H16N2O4 — CID 82722032

IUPACN-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine
SMILESCOCCONCCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O4/c1-16-8-9-17-12-7-6-10-4-2-3-5-11(10)13(14)15/h2-5,12H,6-9H2,1H3
InChIKeyWNZMBTISAOHJTH-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.30
Rot. Bonds8

About N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine

N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine (PubChem CID 82722032) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine
PubChem CID82722032
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine
SMILESCOCCONCCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O4/c1-16-8-9-17-12-7-6-10-4-2-3-5-11(10)13(14)15/h2-5,12H,6-9H2,1H3
InChIKeyWNZMBTISAOHJTH-UHFFFAOYSA-N
XLogP1.30
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(2-methoxyethoxy)-2-(2-nitrophenyl)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

2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine
CID 104562118
ethane;1-(3-methoxypropyl)-2-nitrobenzene
CID 91018205
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide
CID 119802905
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119802904
2-[(2-methoxyethoxyamino)methyl]-6-nitrobenzoic acid
CID 103261704
N-(2-methoxyethoxy)-2-nitroaniline
CID 118026256
4-methoxy-2-methyl-1-[2-(2-nitrophenyl)ethylamino]butan-2-ol
CID 106255429
methyl 2-(2-nitrophenyl)acetate
CID 520464
N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119093580
2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine
CID 114048927
1,1-dimethyl-2-[2-(2-nitrophenyl)ethyl]hydrazine
CID 83014156
2-methoxy-N-(2-methoxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 78807389

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine?
The IUPAC name of N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine (CID 82722032) is N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine is COCCONCCc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine?
The InChIKey is WNZMBTISAOHJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-16-8-9-17-12-7-6-10-4-2-3-5-11(10)13(14)15/h2-5,12H,6-9H2,1H3.
What are the key properties of N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine?
N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine has a molecular weight of 240.26 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 82722032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).