4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine

C13H18N2O4 — CID 802983

IUPAC4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-11-10-12(2-3-13(11)15(16)17)19-9-6-14-4-7-18-8-5-14/h2-3,10H,4-9H2,1H3
InChIKeyMBBTWSWVJALUED-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.61
Rot. Bonds5

About 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine

4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine (PubChem CID 802983) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine
PubChem CID802983
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-11-10-12(2-3-13(11)15(16)17)19-9-6-14-4-7-18-8-5-14/h2-3,10H,4-9H2,1H3
InChIKeyMBBTWSWVJALUED-UHFFFAOYSA-N
XLogP1.61
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.61
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine (CID 802983) is 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine is Cc1cc(OCCN2CCOCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine?
The InChIKey is MBBTWSWVJALUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-11-10-12(2-3-13(11)15(16)17)19-9-6-14-4-7-18-8-5-14/h2-3,10H,4-9H2,1H3.
What are the key properties of 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine?
4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine has a molecular weight of 266.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine is sourced from PubChem (CID 802983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).