2-(2-methoxy-5-nitrophenoxy)ethanamine

C9H12N2O4 — CID 18980081

IUPAC2-(2-methoxy-5-nitrophenoxy)ethanamine
SMILESCOc1ccc([N+](=O)[O-])cc1OCCN
InChIInChI=1S/C9H12N2O4/c1-14-8-3-2-7(11(12)13)6-9(8)15-5-4-10/h2-3,6H,4-5,10H2,1H3
InChIKeyPBNFUFMVSWAELL-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.94
Rot. Bonds5

About 2-(2-methoxy-5-nitrophenoxy)ethanamine

2-(2-methoxy-5-nitrophenoxy)ethanamine (PubChem CID 18980081) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitrophenoxy)ethanamine.

Molecular Properties

Compound Name2-(2-methoxy-5-nitrophenoxy)ethanamine
PubChem CID18980081
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(2-methoxy-5-nitrophenoxy)ethanamine
SMILESCOc1ccc([N+](=O)[O-])cc1OCCN
InChIInChI=1S/C9H12N2O4/c1-14-8-3-2-7(11(12)13)6-9(8)15-5-4-10/h2-3,6H,4-5,10H2,1H3
InChIKeyPBNFUFMVSWAELL-UHFFFAOYSA-N
XLogP0.94
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methoxy-5-nitrophenoxy)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

3-(2-methoxy-5-nitrophenoxy)propanal
CID 63038722
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
1,2-bis(2-methoxyethoxy)-4-nitrobenzene;carbamic acid
CID 175523332
N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine
CID 61386073
2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene
CID 61397125
2-(2-methoxy-5-nitrophenoxy)acetonitrile
CID 8946731
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride
CID 138985745
2-(3,3-diethoxypropoxy)-1-methoxy-4-nitrobenzene
CID 63629477
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]azetidine
CID 107391611
4-(2-methoxy-5-nitrophenoxy)-2,2-dimethylbutanoic acid
CID 65248150

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitrophenoxy)ethanamine?
The IUPAC name of 2-(2-methoxy-5-nitrophenoxy)ethanamine (CID 18980081) is 2-(2-methoxy-5-nitrophenoxy)ethanamine.
What is the SMILES notation for 2-(2-methoxy-5-nitrophenoxy)ethanamine?
The canonical SMILES for 2-(2-methoxy-5-nitrophenoxy)ethanamine is COc1ccc([N+](=O)[O-])cc1OCCN.
What is the InChIKey of 2-(2-methoxy-5-nitrophenoxy)ethanamine?
The InChIKey is PBNFUFMVSWAELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-14-8-3-2-7(11(12)13)6-9(8)15-5-4-10/h2-3,6H,4-5,10H2,1H3.
What are the key properties of 2-(2-methoxy-5-nitrophenoxy)ethanamine?
2-(2-methoxy-5-nitrophenoxy)ethanamine has a molecular weight of 212.20 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-nitrophenoxy)ethanamine is sourced from PubChem (CID 18980081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).