2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine

C12H18N2O4 — CID 10610946

IUPAC2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine
SMILESCOc1cc(C)c([N+](=O)[O-])c(OCCN(C)C)c1
InChIInChI=1S/C12H18N2O4/c1-9-7-10(17-4)8-11(12(9)14(15)16)18-6-5-13(2)3/h7-8H,5-6H2,1-4H3
InChIKeyAPECAFHOGJDNCB-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.85
Rot. Bonds6

About 2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine

2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine (PubChem CID 10610946) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine
PubChem CID10610946
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine
SMILESCOc1cc(C)c([N+](=O)[O-])c(OCCN(C)C)c1
InChIInChI=1S/C12H18N2O4/c1-9-7-10(17-4)8-11(12(9)14(15)16)18-6-5-13(2)3/h7-8H,5-6H2,1-4H3
InChIKeyAPECAFHOGJDNCB-UHFFFAOYSA-N
XLogP1.85
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
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-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine (CID 10610946) is 2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine is COc1cc(C)c([N+](=O)[O-])c(OCCN(C)C)c1.
What is the InChIKey of 2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine?
The InChIKey is APECAFHOGJDNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9-7-10(17-4)8-11(12(9)14(15)16)18-6-5-13(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine?
2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine has a molecular weight of 254.29 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-methyl-2-nitrophenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 10610946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).