2-(2,5-dimethoxy-4-nitrophenyl)ethanamine

C10H14N2O4 — CID 10036637

IUPAC2-(2,5-dimethoxy-4-nitrophenyl)ethanamine
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1CCN
InChIInChI=1S/C10H14N2O4/c1-15-9-6-8(12(13)14)10(16-2)5-7(9)3-4-11/h5-6H,3-4,11H2,1-2H3
InChIKeyZMUSDZGRRJGRAO-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.11
Rot. Bonds5

About 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine

2-(2,5-dimethoxy-4-nitrophenyl)ethanamine (PubChem CID 10036637) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-nitrophenyl)ethanamine
PubChem CID10036637
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(2,5-dimethoxy-4-nitrophenyl)ethanamine
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1CCN
InChIInChI=1S/C10H14N2O4/c1-15-9-6-8(12(13)14)10(16-2)5-7(9)3-4-11/h5-6H,3-4,11H2,1-2H3
InChIKeyZMUSDZGRRJGRAO-UHFFFAOYSA-N
XLogP1.11
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.11
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine?
The IUPAC name of 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine (CID 10036637) is 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine is COc1cc([N+](=O)[O-])c(OC)cc1CCN.
What is the InChIKey of 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine?
The InChIKey is ZMUSDZGRRJGRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-15-9-6-8(12(13)14)10(16-2)5-7(9)3-4-11/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine?
2-(2,5-dimethoxy-4-nitrophenyl)ethanamine has a molecular weight of 226.23 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine is sourced from PubChem (CID 10036637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).