2-[3-(4-nitrophenoxy)propyl]morpholine

C13H18N2O4 — CID 22012898

IUPAC2-[3-(4-nitrophenoxy)propyl]morpholine
SMILESO=[N+]([O-])c1ccc(OCCCC2CNCCO2)cc1
InChIInChI=1S/C13H18N2O4/c16-15(17)11-3-5-12(6-4-11)18-8-1-2-13-10-14-7-9-19-13/h3-6,13-14H,1-2,7-10H2
InChIKeyMORRAVGSEWHYBQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.74
Rot. Bonds6

About 2-[3-(4-nitrophenoxy)propyl]morpholine

2-[3-(4-nitrophenoxy)propyl]morpholine (PubChem CID 22012898) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[3-(4-nitrophenoxy)propyl]morpholine.

Molecular Properties

Compound Name2-[3-(4-nitrophenoxy)propyl]morpholine
PubChem CID22012898
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[3-(4-nitrophenoxy)propyl]morpholine
SMILESO=[N+]([O-])c1ccc(OCCCC2CNCCO2)cc1
InChIInChI=1S/C13H18N2O4/c16-15(17)11-3-5-12(6-4-11)18-8-1-2-13-10-14-7-9-19-13/h3-6,13-14H,1-2,7-10H2
InChIKeyMORRAVGSEWHYBQ-UHFFFAOYSA-N
XLogP1.74
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.74
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

5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline
CID 21451606
2-[2-(4-methylphenoxy)ethyl]morpholine
CID 54402236
(3S)-3-[2-(4-nitrophenoxy)ethyl]piperidine
CID 86321527
[(2R)-morpholin-2-yl]methyl 4-nitrobenzoate
CID 66663133
N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324200
1-(2-cyclopropylethoxy)-4-nitrobenzene
CID 67453725
2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide
CID 66426771
1-[3-(4-nitrophenoxy)propyl]piperazine
CID 2944313
2-[4-(4-nitrophenoxy)butoxy]oxane
CID 86179087
2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434034
(2R)-2-methyl-1-[2-(4-nitrophenoxy)ethyl]piperazine
CID 95656887
(2R)-2-[3-(2,4-dinitrophenoxy)propyl]oxolane
CID 94037055

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-nitrophenoxy)propyl]morpholine?
The IUPAC name of 2-[3-(4-nitrophenoxy)propyl]morpholine (CID 22012898) is 2-[3-(4-nitrophenoxy)propyl]morpholine.
What is the SMILES notation for 2-[3-(4-nitrophenoxy)propyl]morpholine?
The canonical SMILES for 2-[3-(4-nitrophenoxy)propyl]morpholine is O=[N+]([O-])c1ccc(OCCCC2CNCCO2)cc1.
What is the InChIKey of 2-[3-(4-nitrophenoxy)propyl]morpholine?
The InChIKey is MORRAVGSEWHYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-15(17)11-3-5-12(6-4-11)18-8-1-2-13-10-14-7-9-19-13/h3-6,13-14H,1-2,7-10H2.
What are the key properties of 2-[3-(4-nitrophenoxy)propyl]morpholine?
2-[3-(4-nitrophenoxy)propyl]morpholine has a molecular weight of 266.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-nitrophenoxy)propyl]morpholine is sourced from PubChem (CID 22012898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).