4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine

C16H18N2O4 — CID 11991204

IUPAC4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
SMILESO=[N+]([O-])c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C16H18N2O4/c19-18(20)15-5-6-16(14-4-2-1-3-13(14)15)22-12-9-17-7-10-21-11-8-17/h1-6H,7-12H2
InChIKeySLDQQCNHUZDIKB-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.46
Rot. Bonds5

About 4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine

4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine (PubChem CID 11991204) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
PubChem CID11991204
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
SMILESO=[N+]([O-])c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C16H18N2O4/c19-18(20)15-5-6-16(14-4-2-1-3-13(14)15)22-12-9-17-7-10-21-11-8-17/h1-6H,7-12H2
InChIKeySLDQQCNHUZDIKB-UHFFFAOYSA-N
XLogP2.46
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
4-(2-morpholin-4-ylethoxy)-3-nitrobenzaldehyde
CID 23117913
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
4-(2-morpholin-4-ylethoxy)-3-nitrobenzonitrile
CID 59313895
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate
CID 143015562
1-(3-chloropropoxy)-4-nitronaphthalene
CID 63690142
5-tert-butyl-2-methoxy-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-nitrobenzamide
CID 57419061
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine
CID 159494926
2-(5-tert-butyl-2-methoxy-3-nitrophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 57418855
1-(5-chloropentoxy)-4-nitronaphthalene
CID 63690144

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine (CID 11991204) is 4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine is O=[N+]([O-])c1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of 4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine?
The InChIKey is SLDQQCNHUZDIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-18(20)15-5-6-16(14-4-2-1-3-13(14)15)22-12-9-17-7-10-21-11-8-17/h1-6H,7-12H2.
What are the key properties of 4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine?
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine has a molecular weight of 302.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine is sourced from PubChem (CID 11991204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).