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

C10H15ClN2O4 — CID 76964615

IUPAC2-(2,5-dimethoxy-4-nitrophenyl)ethanamine;hydrochloride
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1CCN.Cl
InChIInChI=1S/C10H14N2O4.ClH/c1-15-9-6-8(12(13)14)10(16-2)5-7(9)3-4-11;/h5-6H,3-4,11H2,1-2H3;1H
InChIKeyHBLKZKZKVLJMNC-UHFFFAOYSA-N
MW262.69 g/mol
LogP1.53
Rot. Bonds5

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

2-(2,5-dimethoxy-4-nitrophenyl)ethanamine;hydrochloride (PubChem CID 76964615) has the molecular formula C10H15ClN2O4 and a molecular weight of 262.69 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-nitrophenyl)ethanamine;hydrochloride
PubChem CID76964615
Molecular FormulaC10H15ClN2O4
Molecular Weight262.69 g/mol
Exact Mass262.07
IUPAC Name2-(2,5-dimethoxy-4-nitrophenyl)ethanamine;hydrochloride
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1CCN.Cl
InChIInChI=1S/C10H14N2O4.ClH/c1-15-9-6-8(12(13)14)10(16-2)5-7(9)3-4-11;/h5-6H,3-4,11H2,1-2H3;1H
InChIKeyHBLKZKZKVLJMNC-UHFFFAOYSA-N
XLogP1.53
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 51.53
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-(2,5-dimethoxy-4-nitrophenyl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine;hydrochloride (CID 76964615) is 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine;hydrochloride is COc1cc([N+](=O)[O-])c(OC)cc1CCN.Cl.
What is the InChIKey of 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine;hydrochloride?
The InChIKey is HBLKZKZKVLJMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4.ClH/c1-15-9-6-8(12(13)14)10(16-2)5-7(9)3-4-11;/h5-6H,3-4,11H2,1-2H3;1H.
What are the key properties of 2-(2,5-dimethoxy-4-nitrophenyl)ethanamine;hydrochloride?
2-(2,5-dimethoxy-4-nitrophenyl)ethanamine;hydrochloride has a molecular weight of 262.69 g/mol, XLogP of 1.53, 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;hydrochloride is sourced from PubChem (CID 76964615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).