2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine

C11H16N2O4 — CID 103482481

IUPAC2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine
SMILESCc1ccc([N+](=O)[O-])cc1OCCOCCN
InChIInChI=1S/C11H16N2O4/c1-9-2-3-10(13(14)15)8-11(9)17-7-6-16-5-4-12/h2-3,8H,4-7,12H2,1H3
InChIKeyJFUUCYCBWPIRFY-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.26
Rot. Bonds7

About 2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine

2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine (PubChem CID 103482481) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine
PubChem CID103482481
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine
SMILESCc1ccc([N+](=O)[O-])cc1OCCOCCN
InChIInChI=1S/C11H16N2O4/c1-9-2-3-10(13(14)15)8-11(9)17-7-6-16-5-4-12/h2-3,8H,4-7,12H2,1H3
InChIKeyJFUUCYCBWPIRFY-UHFFFAOYSA-N
XLogP1.26
TPSA87.62 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 ≤ 51.26
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

2-[2-(2,4-dimethyl-5-nitrophenoxy)ethoxy]ethanamine
CID 114088127
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 170563879
3-(2-methyl-5-nitrophenoxy)propanamide
CID 61059962
2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline
CID 70584050
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
4-(2-methyl-5-nitrophenoxy)butanenitrile
CID 61032333
2-methyl-4-(2-methyl-5-nitrophenoxy)butan-2-ol
CID 79361061
2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine
CID 61386077
methyl 3-(2-methyl-5-nitrophenoxy)propanoate
CID 43520114
2-amino-4-(2-methyl-5-nitrophenoxy)butanoic acid
CID 63039221
2-(2-methyl-5-nitrophenoxy)acetonitrile
CID 60779222
trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
CID 173236661

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine (CID 103482481) is 2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine is Cc1ccc([N+](=O)[O-])cc1OCCOCCN.
What is the InChIKey of 2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine?
The InChIKey is JFUUCYCBWPIRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-9-2-3-10(13(14)15)8-11(9)17-7-6-16-5-4-12/h2-3,8H,4-7,12H2,1H3.
What are the key properties of 2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine?
2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine has a molecular weight of 240.26 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine is sourced from PubChem (CID 103482481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).