1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine

C13H19N3O4 — CID 91509694

IUPAC1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine
SMILESCOc1cc([N+](=O)[O-])ccc1OCCN1CCCC1N
InChIInChI=1S/C13H19N3O4/c1-19-12-9-10(16(17)18)4-5-11(12)20-8-7-15-6-2-3-13(15)14/h4-5,9,13H,2-3,6-8,14H2,1H3
InChIKeyLKIAHPKEMIBWLA-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.36
Rot. Bonds6

About 1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine

1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine (PubChem CID 91509694) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine.

Molecular Properties

Compound Name1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine
PubChem CID91509694
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine
SMILESCOc1cc([N+](=O)[O-])ccc1OCCN1CCCC1N
InChIInChI=1S/C13H19N3O4/c1-19-12-9-10(16(17)18)4-5-11(12)20-8-7-15-6-2-3-13(15)14/h4-5,9,13H,2-3,6-8,14H2,1H3
InChIKeyLKIAHPKEMIBWLA-UHFFFAOYSA-N
XLogP1.36
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine
CID 59815628
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
1-(2-bromoethoxy)-2-methoxy-4-nitrobenzene;3-fluoro-1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidine
CID 87801734
4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine
CID 105061240
3-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-4-methoxyaniline;1-[2-(2-methoxy-5-nitrophenoxy)ethyl]-4,4-dimethylpiperidine
CID 158012628
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]azetidine
CID 107391611
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
CID 62356704
N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide
CID 55036254
1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 115648605
2-methoxy-5-nitrophenol;4-[(2-methoxy-4-nitrophenoxy)methyl]piperidine-1-carbaldehyde
CID 87886391

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine?
The IUPAC name of 1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine (CID 91509694) is 1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine.
What is the SMILES notation for 1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine?
The canonical SMILES for 1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine is COc1cc([N+](=O)[O-])ccc1OCCN1CCCC1N.
What is the InChIKey of 1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine?
The InChIKey is LKIAHPKEMIBWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-19-12-9-10(16(17)18)4-5-11(12)20-8-7-15-6-2-3-13(15)14/h4-5,9,13H,2-3,6-8,14H2,1H3.
What are the key properties of 1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine?
1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine has a molecular weight of 281.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine is sourced from PubChem (CID 91509694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).