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

C13H18N2O4 — CID 2232477

IUPAC4-[3-(2-nitrophenoxy)propyl]morpholine
SMILESO=[N+]([O-])c1ccccc1OCCCN1CCOCC1
InChIInChI=1S/C13H18N2O4/c16-15(17)12-4-1-2-5-13(12)19-9-3-6-14-7-10-18-11-8-14/h1-2,4-5H,3,6-11H2
InChIKeyVQZSRUVSNOEJHB-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.70
Rot. Bonds6

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

4-[3-(2-nitrophenoxy)propyl]morpholine (PubChem CID 2232477) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[3-(2-nitrophenoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2-nitrophenoxy)propyl]morpholine
PubChem CID2232477
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[3-(2-nitrophenoxy)propyl]morpholine
SMILESO=[N+]([O-])c1ccccc1OCCCN1CCOCC1
InChIInChI=1S/C13H18N2O4/c16-15(17)12-4-1-2-5-13(12)19-9-3-6-14-7-10-18-11-8-14/h1-2,4-5H,3,6-11H2
InChIKeyVQZSRUVSNOEJHB-UHFFFAOYSA-N
XLogP1.70
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
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-(3-morpholin-4-ylpropoxy)-6-nitrobenzoic acid
CID 175238425
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
CID 11991204
2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine
CID 159494926
4-[3-[4-(1,3-benzothiazol-2-yl)-2-nitrophenoxy]propyl]morpholine
CID 141407884
(2-nitrophenyl) 2-morpholin-4-ylacetate
CID 164900000
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-(2-morpholin-4-ylethoxy)-3-nitrobenzaldehyde
CID 23117913
4-(3-morpholin-4-ylpropoxy)-2-nitroaniline
CID 142691529
N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine
CID 25268897
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
4-(2-morpholin-4-ylethoxy)-3-nitrobenzonitrile
CID 59313895
[2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone
CID 137338787

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-nitrophenoxy)propyl]morpholine?
The IUPAC name of 4-[3-(2-nitrophenoxy)propyl]morpholine (CID 2232477) is 4-[3-(2-nitrophenoxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(2-nitrophenoxy)propyl]morpholine?
The canonical SMILES for 4-[3-(2-nitrophenoxy)propyl]morpholine is O=[N+]([O-])c1ccccc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-(2-nitrophenoxy)propyl]morpholine?
The InChIKey is VQZSRUVSNOEJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-15(17)12-4-1-2-5-13(12)19-9-3-6-14-7-10-18-11-8-14/h1-2,4-5H,3,6-11H2.
What are the key properties of 4-[3-(2-nitrophenoxy)propyl]morpholine?
4-[3-(2-nitrophenoxy)propyl]morpholine has a molecular weight of 266.30 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-nitrophenoxy)propyl]morpholine is sourced from PubChem (CID 2232477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).