2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine

C15H22N2O4 — CID 63828920

IUPAC2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine
SMILESO=[N+]([O-])c1ccc(OCCNCCOC2CCCC2)cc1
InChIInChI=1S/C15H22N2O4/c18-17(19)13-5-7-15(8-6-13)21-12-10-16-9-11-20-14-3-1-2-4-14/h5-8,14,16H,1-4,9-12H2
InChIKeyLJBMVRHEYLNKAD-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.52
Rot. Bonds9

About 2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine

2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine (PubChem CID 63828920) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine
PubChem CID63828920
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine
SMILESO=[N+]([O-])c1ccc(OCCNCCOC2CCCC2)cc1
InChIInChI=1S/C15H22N2O4/c18-17(19)13-5-7-15(8-6-13)21-12-10-16-9-11-20-14-3-1-2-4-14/h5-8,14,16H,1-4,9-12H2
InChIKeyLJBMVRHEYLNKAD-UHFFFAOYSA-N
XLogP2.52
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine?
The IUPAC name of 2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine (CID 63828920) is 2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine?
The canonical SMILES for 2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine is O=[N+]([O-])c1ccc(OCCNCCOC2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine?
The InChIKey is LJBMVRHEYLNKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-17(19)13-5-7-15(8-6-13)21-12-10-16-9-11-20-14-3-1-2-4-14/h5-8,14,16H,1-4,9-12H2.
What are the key properties of 2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine?
2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine has a molecular weight of 294.35 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine is sourced from PubChem (CID 63828920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).