2,6-dimethyl-4-(4-nitrophenyl)morpholine

C12H16N2O3 — CID 2798278

IUPAC2,6-dimethyl-4-(4-nitrophenyl)morpholine
SMILESCC1CN(c2ccc([N+](=O)[O-])cc2)CC(C)O1
InChIInChI=1S/C12H16N2O3/c1-9-7-13(8-10(2)17-9)11-3-5-12(6-4-11)14(15)16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyXCCYGUOUNHECSY-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.21
Rot. Bonds2

About 2,6-dimethyl-4-(4-nitrophenyl)morpholine

2,6-dimethyl-4-(4-nitrophenyl)morpholine (PubChem CID 2798278) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-nitrophenyl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-nitrophenyl)morpholine
PubChem CID2798278
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2,6-dimethyl-4-(4-nitrophenyl)morpholine
SMILESCC1CN(c2ccc([N+](=O)[O-])cc2)CC(C)O1
InChIInChI=1S/C12H16N2O3/c1-9-7-13(8-10(2)17-9)11-3-5-12(6-4-11)14(15)16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyXCCYGUOUNHECSY-UHFFFAOYSA-N
XLogP2.21
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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 2,6-dimethyl-4-(4-nitrophenyl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(4-nitrophenyl)morpholine (CID 2798278) is 2,6-dimethyl-4-(4-nitrophenyl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(4-nitrophenyl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(4-nitrophenyl)morpholine is CC1CN(c2ccc([N+](=O)[O-])cc2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(4-nitrophenyl)morpholine?
The InChIKey is XCCYGUOUNHECSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-7-13(8-10(2)17-9)11-3-5-12(6-4-11)14(15)16/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(4-nitrophenyl)morpholine?
2,6-dimethyl-4-(4-nitrophenyl)morpholine has a molecular weight of 236.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-nitrophenyl)morpholine is sourced from PubChem (CID 2798278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).