2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine

C10H14N2O3 — CID 25161743

IUPAC2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine
SMILESCOCCNCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O3/c1-15-7-6-11-8-9-4-2-3-5-10(9)12(13)14/h2-5,11H,6-8H2,1H3
InChIKeyLECLCXIUNYXPFG-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.33
Rot. Bonds6

About 2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine

2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine (PubChem CID 25161743) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine
PubChem CID25161743
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine
SMILESCOCCNCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O3/c1-15-7-6-11-8-9-4-2-3-5-10(9)12(13)14/h2-5,11H,6-8H2,1H3
InChIKeyLECLCXIUNYXPFG-UHFFFAOYSA-N
XLogP1.33
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine (CID 25161743) is 2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine is COCCNCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine?
The InChIKey is LECLCXIUNYXPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-15-7-6-11-8-9-4-2-3-5-10(9)12(13)14/h2-5,11H,6-8H2,1H3.
What are the key properties of 2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine?
2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine has a molecular weight of 210.23 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 25161743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).