2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine

C11H16N2O4 — CID 62336435

IUPAC2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine
SMILESCNCCOCc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O4/c1-12-5-6-17-8-9-3-4-11(16-2)10(7-9)13(14)15/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyFFAJEIOILQPAIC-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.34
Rot. Bonds7

About 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine

2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine (PubChem CID 62336435) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine
PubChem CID62336435
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine
SMILESCNCCOCc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O4/c1-12-5-6-17-8-9-3-4-11(16-2)10(7-9)13(14)15/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyFFAJEIOILQPAIC-UHFFFAOYSA-N
XLogP1.34
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

tert-butyl N-[2-[(4-methoxy-3-nitrophenyl)methoxy]ethyl]carbamate
CID 155692185
4-(butoxymethyl)-2-methoxy-1-nitrobenzene
CID 91724481
methyl 3-(4-methoxy-3-nitrophenyl)-2-oxopropanoate
CID 96827543
3-[2-[(4-methoxy-3-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795948
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972
N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
CID 29045280
4-[(3,5-dimethylphenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 60772192
4-(2-chloroethyl)-1-methoxy-2-nitrobenzene
CID 19438355
2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine
CID 83013842
2-(4-iodo-2-nitrophenoxy)-N-methylethanamine
CID 66080361
4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene
CID 174451307
2-methoxy-4-(3-methylbutoxymethyl)-1-nitrobenzene
CID 91724478

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine?
The IUPAC name of 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine (CID 62336435) is 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine.
What is the SMILES notation for 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine?
The canonical SMILES for 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine is CNCCOCc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine?
The InChIKey is FFAJEIOILQPAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-12-5-6-17-8-9-3-4-11(16-2)10(7-9)13(14)15/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine?
2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine has a molecular weight of 240.26 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine is sourced from PubChem (CID 62336435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).